4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide

C18H21N3O2 — CID 26013431

IUPAC4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C18H21N3O2/c1-13(7-8-14-5-3-2-4-6-14)20-17(22)15-9-11-16(12-10-15)21-18(19)23/h2-6,9-13H,7-8H2,1H3,(H,20,22)(H3,19,21,23)/t13-/m0/s1
InChIKeyCTBQJBRSQJJMPH-ZDUSSCGKSA-N
MW311.39 g/mol
LogP2.93
Rot. Bonds6

About 4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide

4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide (PubChem CID 26013431) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
PubChem CID26013431
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C18H21N3O2/c1-13(7-8-14-5-3-2-4-6-14)20-17(22)15-9-11-16(12-10-15)21-18(19)23/h2-6,9-13H,7-8H2,1H3,(H,20,22)(H3,19,21,23)/t13-/m0/s1
InChIKeyCTBQJBRSQJJMPH-ZDUSSCGKSA-N
XLogP2.93
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(hydrazinecarbonyl)phenyl]-N'-(4-phenylbutan-2-yl)oxamide
CID 45059559
4-[(4-nitrobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 7372197
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 2946068
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide
CID 17201204
[4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate
CID 3865423
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 100778918
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
6-amino-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 62072779

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The IUPAC name of 4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide (CID 26013431) is 4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The canonical SMILES for 4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide is C[C@@H](CCc1ccccc1)NC(=O)c1ccc(NC(N)=O)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The InChIKey is CTBQJBRSQJJMPH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13(7-8-14-5-3-2-4-6-14)20-17(22)15-9-11-16(12-10-15)21-18(19)23/h2-6,9-13H,7-8H2,1H3,(H,20,22)(H3,19,21,23)/t13-/m0/s1.
What are the key properties of 4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide?
4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide has a molecular weight of 311.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 26013431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).