N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide

C17H25NO — CID 92675793

IUPACN-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
SMILESCC[C@@H](NC(=O)C1CCCCC1)c1ccc(C)cc1
InChIInChI=1S/C17H25NO/c1-3-16(14-11-9-13(2)10-12-14)18-17(19)15-7-5-4-6-8-15/h9-12,15-16H,3-8H2,1-2H3,(H,18,19)/t16-/m1/s1
InChIKeyIFZPLVZAACEGNE-MRXNPFEDSA-N
MW259.39 g/mol
LogP4.14
Rot. Bonds4

About N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide

N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide (PubChem CID 92675793) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
PubChem CID92675793
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
SMILESCC[C@@H](NC(=O)C1CCCCC1)c1ccc(C)cc1
InChIInChI=1S/C17H25NO/c1-3-16(14-11-9-13(2)10-12-14)18-17(19)15-7-5-4-6-8-15/h9-12,15-16H,3-8H2,1-2H3,(H,18,19)/t16-/m1/s1
InChIKeyIFZPLVZAACEGNE-MRXNPFEDSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
CID 6469111
N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide
CID 18115473
1-acetyl-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 6469814
2-amino-N-[1-(4-methylphenyl)propyl]cyclohexane-1-carboxamide
CID 64824324
1-[(4-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024761
1-ethylsulfonyl-N-[1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 50946502
(3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 95118826
1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 134028904
2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978215
2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975840
3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide
CID 107067400
tert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate
CID 9155664

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide (CID 92675793) is N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide is CC[C@@H](NC(=O)C1CCCCC1)c1ccc(C)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide?
The InChIKey is IFZPLVZAACEGNE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-16(14-11-9-13(2)10-12-14)18-17(19)15-7-5-4-6-8-15/h9-12,15-16H,3-8H2,1-2H3,(H,18,19)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide?
N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide has a molecular weight of 259.39 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide is sourced from PubChem (CID 92675793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).