4-phenyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide

C23H28N2O2 — CID 86961225

IUPAC4-phenyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide
SMILESCC(C)NC(=O)C1CCCC(NC(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C23H28N2O2/c1-16(2)24-23(27)20-9-6-10-21(15-20)25-22(26)19-13-11-18(12-14-19)17-7-4-3-5-8-17/h3-5,7-8,11-14,16,20-21H,6,9-10,15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyIKWMCOWYWWNMOH-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.17
Rot. Bonds5

About 4-phenyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide

4-phenyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide (PubChem CID 86961225) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-phenyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide
PubChem CID86961225
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name4-phenyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide
SMILESCC(C)NC(=O)C1CCCC(NC(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C23H28N2O2/c1-16(2)24-23(27)20-9-6-10-21(15-20)25-22(26)19-13-11-18(12-14-19)17-7-4-3-5-8-17/h3-5,7-8,11-14,16,20-21H,6,9-10,15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyIKWMCOWYWWNMOH-UHFFFAOYSA-N
XLogP4.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorobenzoyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide
CID 86962081
N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide
CID 66710031
3-N-methyl-3-N-phenyl-1-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzene-1,3-dicarboxamide
CID 86960926
N-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide
CID 175179674
4-(2,4-difluorophenoxy)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide
CID 86961034
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-4-phenylbenzamide
CID 52898200
N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115
trans-(1R,3R)-3-(2,3-dihydro-1H-inden-2-ylamino)-N-propan-2-ylcyclohexane-1-carboxamide
CID 97232196
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
6-(3-fluorophenyl)-N-[3-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]pyridine-3-carboxamide
CID 68507339
N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide
CID 126621339
1-(2,4-dichlorophenyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]pyrazole-4-carboxamide
CID 86961111

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide?
The IUPAC name of 4-phenyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide (CID 86961225) is 4-phenyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide?
The canonical SMILES for 4-phenyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide is CC(C)NC(=O)C1CCCC(NC(=O)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 4-phenyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide?
The InChIKey is IKWMCOWYWWNMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16(2)24-23(27)20-9-6-10-21(15-20)25-22(26)19-13-11-18(12-14-19)17-7-4-3-5-8-17/h3-5,7-8,11-14,16,20-21H,6,9-10,15H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 4-phenyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide?
4-phenyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide has a molecular weight of 364.49 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide is sourced from PubChem (CID 86961225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).