N-benzyl-3-(1-methylcyclohexyl)-2-(4-methylphenyl)propanamide

C24H31NO — CID 155510329

IUPACN-benzyl-3-(1-methylcyclohexyl)-2-(4-methylphenyl)propanamide
SMILESCc1ccc(C(CC2(C)CCCCC2)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C24H31NO/c1-19-11-13-21(14-12-19)22(17-24(2)15-7-4-8-16-24)23(26)25-18-20-9-5-3-6-10-20/h3,5-6,9-14,22H,4,7-8,15-18H2,1-2H3,(H,25,26)
InChIKeyCXMBZYBTGVMUGP-UHFFFAOYSA-N
MW349.52 g/mol
LogP5.76
Rot. Bonds6

About N-benzyl-3-(1-methylcyclohexyl)-2-(4-methylphenyl)propanamide

N-benzyl-3-(1-methylcyclohexyl)-2-(4-methylphenyl)propanamide (PubChem CID 155510329) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is N-benzyl-3-(1-methylcyclohexyl)-2-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(1-methylcyclohexyl)-2-(4-methylphenyl)propanamide
PubChem CID155510329
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC NameN-benzyl-3-(1-methylcyclohexyl)-2-(4-methylphenyl)propanamide
SMILESCc1ccc(C(CC2(C)CCCCC2)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C24H31NO/c1-19-11-13-21(14-12-19)22(17-24(2)15-7-4-8-16-24)23(26)25-18-20-9-5-3-6-10-20/h3,5-6,9-14,22H,4,7-8,15-18H2,1-2H3,(H,25,26)
InChIKeyCXMBZYBTGVMUGP-UHFFFAOYSA-N
XLogP5.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzylacetamide;toluene
CID 175498463
N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409246
2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 110409297
(2R)-2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 6543594
(2R)-N-benzyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 7458626
1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea
CID 107654302
N-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide
CID 119404563
(2R)-2-(4-methylphenyl)-4-phenylbutanoic acid
CID 94724465
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 110296757
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-2-ylpropanamide
CID 110296675
3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)propanamide
CID 110296570
1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43397053

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1-methylcyclohexyl)-2-(4-methylphenyl)propanamide?
The IUPAC name of N-benzyl-3-(1-methylcyclohexyl)-2-(4-methylphenyl)propanamide (CID 155510329) is N-benzyl-3-(1-methylcyclohexyl)-2-(4-methylphenyl)propanamide.
What is the SMILES notation for N-benzyl-3-(1-methylcyclohexyl)-2-(4-methylphenyl)propanamide?
The canonical SMILES for N-benzyl-3-(1-methylcyclohexyl)-2-(4-methylphenyl)propanamide is Cc1ccc(C(CC2(C)CCCCC2)C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-3-(1-methylcyclohexyl)-2-(4-methylphenyl)propanamide?
The InChIKey is CXMBZYBTGVMUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1-19-11-13-21(14-12-19)22(17-24(2)15-7-4-8-16-24)23(26)25-18-20-9-5-3-6-10-20/h3,5-6,9-14,22H,4,7-8,15-18H2,1-2H3,(H,25,26).
What are the key properties of N-benzyl-3-(1-methylcyclohexyl)-2-(4-methylphenyl)propanamide?
N-benzyl-3-(1-methylcyclohexyl)-2-(4-methylphenyl)propanamide has a molecular weight of 349.52 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1-methylcyclohexyl)-2-(4-methylphenyl)propanamide is sourced from PubChem (CID 155510329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).