3-methyl-N-[4-[1-(propylcarbamoyl)cyclohexyl]phenyl]benzamide

C24H30N2O2 — CID 46384080

IUPAC3-methyl-N-[4-[1-(propylcarbamoyl)cyclohexyl]phenyl]benzamide
SMILESCCCNC(=O)C1(c2ccc(NC(=O)c3cccc(C)c3)cc2)CCCCC1
InChIInChI=1S/C24H30N2O2/c1-3-16-25-23(28)24(14-5-4-6-15-24)20-10-12-21(13-11-20)26-22(27)19-9-7-8-18(2)17-19/h7-13,17H,3-6,14-16H2,1-2H3,(H,25,28)(H,26,27)
InChIKeySPGIJYNDTGJNKO-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.98
Rot. Bonds6

About 3-methyl-N-[4-[1-(propylcarbamoyl)cyclohexyl]phenyl]benzamide

3-methyl-N-[4-[1-(propylcarbamoyl)cyclohexyl]phenyl]benzamide (PubChem CID 46384080) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-methyl-N-[4-[1-(propylcarbamoyl)cyclohexyl]phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-[1-(propylcarbamoyl)cyclohexyl]phenyl]benzamide
PubChem CID46384080
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name3-methyl-N-[4-[1-(propylcarbamoyl)cyclohexyl]phenyl]benzamide
SMILESCCCNC(=O)C1(c2ccc(NC(=O)c3cccc(C)c3)cc2)CCCCC1
InChIInChI=1S/C24H30N2O2/c1-3-16-25-23(28)24(14-5-4-6-15-24)20-10-12-21(13-11-20)26-22(27)19-9-7-8-18(2)17-19/h7-13,17H,3-6,14-16H2,1-2H3,(H,25,28)(H,26,27)
InChIKeySPGIJYNDTGJNKO-UHFFFAOYSA-N
XLogP4.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[4-[1-(3-methylbutylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50822430
N-[4-[1-(cyclohexylmethylcarbamoyl)cyclopropyl]phenyl]-3-methylbenzamide
CID 50821467
N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821604
3-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 146062393
N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide
CID 46384112
3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821535
N-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 46384098
N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 119507604
3-methyl-N-[4-(pentylamino)phenyl]benzamide
CID 112985190
3-N-(4-ethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050379
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[1-(propylcarbamoyl)cyclohexyl]phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-[1-(propylcarbamoyl)cyclohexyl]phenyl]benzamide (CID 46384080) is 3-methyl-N-[4-[1-(propylcarbamoyl)cyclohexyl]phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-[1-(propylcarbamoyl)cyclohexyl]phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-[1-(propylcarbamoyl)cyclohexyl]phenyl]benzamide is CCCNC(=O)C1(c2ccc(NC(=O)c3cccc(C)c3)cc2)CCCCC1.
What is the InChIKey of 3-methyl-N-[4-[1-(propylcarbamoyl)cyclohexyl]phenyl]benzamide?
The InChIKey is SPGIJYNDTGJNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-3-16-25-23(28)24(14-5-4-6-15-24)20-10-12-21(13-11-20)26-22(27)19-9-7-8-18(2)17-19/h7-13,17H,3-6,14-16H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 3-methyl-N-[4-[1-(propylcarbamoyl)cyclohexyl]phenyl]benzamide?
3-methyl-N-[4-[1-(propylcarbamoyl)cyclohexyl]phenyl]benzamide has a molecular weight of 378.52 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[1-(propylcarbamoyl)cyclohexyl]phenyl]benzamide is sourced from PubChem (CID 46384080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).