N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide

C23H22N2O2 — CID 7899822

IUPACN-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
SMILESCc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O2/c1-17-12-14-20(15-13-17)24-22(26)16-21(18-8-4-2-5-9-18)25-23(27)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3,(H,24,26)(H,25,27)/t21-/m0/s1
InChIKeyHYCDSPCEIMDVDW-NRFANRHFSA-N
MW358.44 g/mol
LogP4.49
Rot. Bonds6

About N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide

N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 7899822) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
PubChem CID7899822
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
SMILESCc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O2/c1-17-12-14-20(15-13-17)24-22(26)16-21(18-8-4-2-5-9-18)25-23(27)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3,(H,24,26)(H,25,27)/t21-/m0/s1
InChIKeyHYCDSPCEIMDVDW-NRFANRHFSA-N
XLogP4.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
CID 55333107
N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55527938
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 2464081
N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7946567
N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 51870095
3-acetamido-N-[4-(4-methylphenoxy)phenyl]-3-phenylpropanamide
CID 24636973
N-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 9210815
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
N-[3-oxo-1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]propyl]benzamide
CID 55561337
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
3-benzamido-3-phenylpropanoic acid
CID 2834576

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide (CID 7899822) is N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide is Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is HYCDSPCEIMDVDW-NRFANRHFSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17-12-14-20(15-13-17)24-22(26)16-21(18-8-4-2-5-9-18)25-23(27)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3,(H,24,26)(H,25,27)/t21-/m0/s1.
What are the key properties of N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide?
N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 358.44 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 7899822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).