N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbenzamide

C24H21N3O2 — CID 11696652

IUPACN-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbenzamide
SMILESN#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21N3O2/c25-15-16-26-24(29)22(17-18-7-3-1-4-8-18)27-23(28)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-14,22H,16-17H2,(H,26,29)(H,27,28)/t22-/m0/s1
InChIKeyDWFFMEGYLGKXHE-QFIPXVFZSA-N
MW383.45 g/mol
LogP3.33
Rot. Bonds7

About N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbenzamide

N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbenzamide (PubChem CID 11696652) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbenzamide
PubChem CID11696652
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbenzamide
SMILESN#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21N3O2/c25-15-16-26-24(29)22(17-18-7-3-1-4-8-18)27-23(28)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-14,22H,16-17H2,(H,26,29)(H,27,28)/t22-/m0/s1
InChIKeyDWFFMEGYLGKXHE-QFIPXVFZSA-N
XLogP3.33
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N,N'-dicyclohexyl-2,6-naphthalenedicarboxamide
CID 21987656
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
CID 809338
4-Tert-butyl-N-(2-phenylethyl)benzamide
CID 809340
4-Fluoro-N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 155537428
Bibo3304
CID 5311022
AR-M1000390
CID 9841259
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenylphenyl)ethyl]amino}pentanamide
CID 23648300
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methylphenyl)phenyl]ethyl]amino}pentanamide
CID 23648301
CID 137553162
CID 137553162
4-((3R)-3-((2-(4-fluorophenyl)-2-oxoethyl)amino)butyl)benzamide
CID 15991577

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbenzamide (CID 11696652) is N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbenzamide is N#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbenzamide?
The InChIKey is DWFFMEGYLGKXHE-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H21N3O2/c25-15-16-26-24(29)22(17-18-7-3-1-4-8-18)27-23(28)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-14,22H,16-17H2,(H,26,29)(H,27,28)/t22-/m0/s1.
What are the key properties of N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbenzamide?
N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbenzamide has a molecular weight of 383.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 11696652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).