N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide

C24H22N2O3 — CID 2464081

IUPACN-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide
SMILESCC(=O)c1cccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H22N2O3/c1-17(27)20-13-8-14-21(15-20)25-23(28)16-22(18-9-4-2-5-10-18)26-24(29)19-11-6-3-7-12-19/h2-15,22H,16H2,1H3,(H,25,28)(H,26,29)/t22-/m0/s1
InChIKeyMBONNUKUFJHNNB-QFIPXVFZSA-N
MW386.45 g/mol
LogP4.39
Rot. Bonds7

About N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide

N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 2464081) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide
PubChem CID2464081
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide
SMILESCC(=O)c1cccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H22N2O3/c1-17(27)20-13-8-14-21(15-20)25-23(28)16-22(18-9-4-2-5-10-18)26-24(29)19-11-6-3-7-12-19/h2-15,22H,16H2,1H3,(H,25,28)(H,26,29)/t22-/m0/s1
InChIKeyMBONNUKUFJHNNB-QFIPXVFZSA-N
XLogP4.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55573209
N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822
4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
CID 55333107
ethyl 3-[(3-acetamido-3-phenylpropanoyl)amino]benzoate
CID 55394890
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 51870095
N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55527938
ethyl 3-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoate
CID 48637923
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 42993313
N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7946567
3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N-methylbenzamide
CID 46585410

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide (CID 2464081) is N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide is CC(=O)c1cccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is MBONNUKUFJHNNB-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-17(27)20-13-8-14-21(15-20)25-23(28)16-22(18-9-4-2-5-10-18)26-24(29)19-11-6-3-7-12-19/h2-15,22H,16H2,1H3,(H,25,28)(H,26,29)/t22-/m0/s1.
What are the key properties of N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide?
N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 386.45 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 2464081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).