(2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide

C24H22N2O3 — CID 1019404

IUPAC(2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H22N2O3/c1-16(24(29)26-22-13-11-21(12-14-22)25-17(2)27)19-9-6-10-20(15-19)23(28)18-7-4-3-5-8-18/h3-16H,1-2H3,(H,25,27)(H,26,29)/t16-/m0/s1
InChIKeyLEZSZUIVOKTYAG-INIZCTEOSA-N
MW386.45 g/mol
LogP4.62
Rot. Bonds6

About (2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide

(2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide (PubChem CID 1019404) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is (2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide
PubChem CID1019404
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name(2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H22N2O3/c1-16(24(29)26-22-13-11-21(12-14-22)25-17(2)27)19-9-6-10-20(15-19)23(28)18-7-4-3-5-8-18/h3-16H,1-2H3,(H,25,27)(H,26,29)/t16-/m0/s1
InChIKeyLEZSZUIVOKTYAG-INIZCTEOSA-N
XLogP4.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide
CID 837003
(2S)-2-(3-benzoylphenyl)-N-(3-chloro-4-fluorophenyl)propanamide
CID 100913472
4-[[(2S)-2-(3-benzoylphenyl)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 40736580
(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712
(2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 1019515
CID 66964934
CID 66964934
CID 157056025
CID 157056025
(2R)-2-(3-benzoylphenyl)-N-(5-chloro-2-methylphenyl)propanamide
CID 98001096
sodium (2S)-2-(3-benzoylphenyl)propanoate
CID 67762789
(2R)-2-(3-benzoylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 1019431
ethyl 2-[2-(3-benzoylphenyl)propanoylamino]benzoate
CID 4101602

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide?
The IUPAC name of (2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide (CID 1019404) is (2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide.
What is the SMILES notation for (2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide?
The canonical SMILES for (2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide is CC(=O)Nc1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1.
What is the InChIKey of (2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide?
The InChIKey is LEZSZUIVOKTYAG-INIZCTEOSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-16(24(29)26-22-13-11-21(12-14-22)25-17(2)27)19-9-6-10-20(15-19)23(28)18-7-4-3-5-8-18/h3-16H,1-2H3,(H,25,27)(H,26,29)/t16-/m0/s1.
What are the key properties of (2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide?
(2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide has a molecular weight of 386.45 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide is sourced from PubChem (CID 1019404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).