(2S)-N-(4-acetylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxypropanamide

C27H23NO5 — CID 26216457

IUPAC(2S)-N-(4-acetylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxypropanamide
SMILESCC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)cc1
InChIInChI=1S/C27H23NO5/c1-16(29)19-9-11-21(12-10-19)28-27(31)18(3)32-22-13-14-23-24(15-22)33-17(2)25(26(23)30)20-7-5-4-6-8-20/h4-15,18H,1-3H3,(H,28,31)/t18-/m0/s1
InChIKeyFPLGHQNJJUJGJN-SFHVURJKSA-N
MW441.48 g/mol
LogP5.38
Rot. Bonds6

About (2S)-N-(4-acetylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxypropanamide

(2S)-N-(4-acetylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxypropanamide (PubChem CID 26216457) has the molecular formula C27H23NO5 and a molecular weight of 441.48 g/mol. Its IUPAC name is (2S)-N-(4-acetylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxypropanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxypropanamide
PubChem CID26216457
Molecular FormulaC27H23NO5
Molecular Weight441.48 g/mol
Exact Mass441.16
IUPAC Name(2S)-N-(4-acetylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxypropanamide
SMILESCC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)cc1
InChIInChI=1S/C27H23NO5/c1-16(29)19-9-11-21(12-10-19)28-27(31)18(3)32-22-13-14-23-24(15-22)33-17(2)25(26(23)30)20-7-5-4-6-8-20/h4-15,18H,1-3H3,(H,28,31)/t18-/m0/s1
InChIKeyFPLGHQNJJUJGJN-SFHVURJKSA-N
XLogP5.38
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.48
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 16544795
methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate
CID 26216445
(2S)-N-(4-acetylphenyl)-2-dibenzofuran-2-yloxypropanamide
CID 30545915
2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-phenylacetamide
CID 7714067
(2-methyl-4-oxo-3-phenylchromen-7-yl) 2-(2,3,4,5,6-pentafluorophenoxy)propanoate
CID 110274110
2-methyl-7-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-3-phenylchromen-4-one
CID 25351989
(2-methyl-4-oxo-3-phenylchromen-7-yl) N-(3,4-dichlorophenyl)carbamate
CID 3970988
N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266489
4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide
CID 7967896
propan-2-yl 4-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzoate
CID 1178021
N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
CID 16551217
N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7714060

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxypropanamide?
The IUPAC name of (2S)-N-(4-acetylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxypropanamide (CID 26216457) is (2S)-N-(4-acetylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxypropanamide.
What is the SMILES notation for (2S)-N-(4-acetylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxypropanamide?
The canonical SMILES for (2S)-N-(4-acetylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxypropanamide is CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)cc1.
What is the InChIKey of (2S)-N-(4-acetylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxypropanamide?
The InChIKey is FPLGHQNJJUJGJN-SFHVURJKSA-N. The full InChI is InChI=1S/C27H23NO5/c1-16(29)19-9-11-21(12-10-19)28-27(31)18(3)32-22-13-14-23-24(15-22)33-17(2)25(26(23)30)20-7-5-4-6-8-20/h4-15,18H,1-3H3,(H,28,31)/t18-/m0/s1.
What are the key properties of (2S)-N-(4-acetylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxypropanamide?
(2S)-N-(4-acetylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxypropanamide has a molecular weight of 441.48 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxypropanamide is sourced from PubChem (CID 26216457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).