(3S)-3-acetamido-N-(2-benzylphenyl)-3-phenylpropanamide

C24H24N2O2 — CID 2555292

IUPAC(3S)-3-acetamido-N-(2-benzylphenyl)-3-phenylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)Nc1ccccc1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O2/c1-18(27)25-23(20-12-6-3-7-13-20)17-24(28)26-22-15-9-8-14-21(22)16-19-10-4-2-5-11-19/h2-15,23H,16-17H2,1H3,(H,25,27)(H,26,28)/t23-/m0/s1
InChIKeyXCFUTFQAPMSHND-QHCPKHFHSA-N
MW372.47 g/mol
LogP4.48
Rot. Bonds7

About (3S)-3-acetamido-N-(2-benzylphenyl)-3-phenylpropanamide

(3S)-3-acetamido-N-(2-benzylphenyl)-3-phenylpropanamide (PubChem CID 2555292) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (3S)-3-acetamido-N-(2-benzylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-(2-benzylphenyl)-3-phenylpropanamide
PubChem CID2555292
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name(3S)-3-acetamido-N-(2-benzylphenyl)-3-phenylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)Nc1ccccc1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O2/c1-18(27)25-23(20-12-6-3-7-13-20)17-24(28)26-22-15-9-8-14-21(22)16-19-10-4-2-5-11-19/h2-15,23H,16-17H2,1H3,(H,25,27)(H,26,28)/t23-/m0/s1
InChIKeyXCFUTFQAPMSHND-QHCPKHFHSA-N
XLogP4.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-acetamido-N-(2-methylphenyl)-3-phenylpropanamide
CID 2599103
3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
CID 78796655
(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 41075346
3-acetamido-N-(2-ethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17436555
3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide
CID 17401242
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
3-(2-benzylanilino)-3-oxopropanoic acid
CID 62230739
3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 4792587
3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide
CID 51194779
N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7946567
3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide
CID 78776290
3-acetamido-3-(4-bromophenyl)-N-(2-methylsulfanylphenyl)propanamide
CID 112811989

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-(2-benzylphenyl)-3-phenylpropanamide?
The IUPAC name of (3S)-3-acetamido-N-(2-benzylphenyl)-3-phenylpropanamide (CID 2555292) is (3S)-3-acetamido-N-(2-benzylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-acetamido-N-(2-benzylphenyl)-3-phenylpropanamide?
The canonical SMILES for (3S)-3-acetamido-N-(2-benzylphenyl)-3-phenylpropanamide is CC(=O)N[C@@H](CC(=O)Nc1ccccc1Cc1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-3-acetamido-N-(2-benzylphenyl)-3-phenylpropanamide?
The InChIKey is XCFUTFQAPMSHND-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-18(27)25-23(20-12-6-3-7-13-20)17-24(28)26-22-15-9-8-14-21(22)16-19-10-4-2-5-11-19/h2-15,23H,16-17H2,1H3,(H,25,27)(H,26,28)/t23-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-(2-benzylphenyl)-3-phenylpropanamide?
(3S)-3-acetamido-N-(2-benzylphenyl)-3-phenylpropanamide has a molecular weight of 372.47 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-(2-benzylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 2555292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).