Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace Post My RFQ |
Home> Encyclopedia

N-[2-(4-hydroxyphenyl)ethyl]-2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetamide

Iupac Name:N-[2-(4-hydroxyphenyl)ethyl]-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide
CAS No.: 1574320-20-9
Molecular Weight:381.4
Modify Date.: 2022-07-23 11:09
1. Names and Identifiers
1.1 Name
N-[2-(4-hydroxyphenyl)ethyl]-2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetamide
1.2 CAS No.
1574320-20-9
1.3 CID
71826101
1.4 Molecular Formula
C22H23NO5 (isomer)
1.5 Inchi
InChI=1S/C22H23NO5/c1-13-14(2)22(26)28-21-15(3)19(9-8-18(13)21)27-12-20(25)23-11-10-16-4-6-17(24)7-5-16/h4-9,24H,10-12H2,1-3H3,(H,23,25)
1.6 InChIkey
DCFWCBTZGOTNOF-UHFFFAOYSA-N
1.7 Canonical Smiles
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)NCCC3=CC=C(C=C3)O)C
1.8 Isomers Smiles
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)NCCC3=CC=C(C=C3)O)C
2. Properties
2.1 Precise Quality
381.15762283
3. Computational chemical data
  • Molecular Weight: 381.4g/mol
  • Molecular Formula: C22H23NO5
  • Compound Is Canonicalized: True
  • XLogP3-AA: 3.5
  • Exact Mass: 381.15762283
  • Monoisotopic Mass: 381.15762283
  • Complexity: 608
  • Rotatable Bond Count: 6
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Topological Polar Surface Area: 84.9
  • Heavy Atom Count: 28
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADceB6OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAQCAAADAThmAYyDoLABgCIAiHSGAICCAAgIAAIiIFOCMgOJyKGsR+HeiCl1hWYuQeQ4OwOIAACCAAIAABAAAQQABAAAAAAAAAAAA==
5. Realated Product Infomation