N-methyl-2-(1-phenylcyclohexyl)butanamide

C17H25NO — CID 68983886

IUPACN-methyl-2-(1-phenylcyclohexyl)butanamide
SMILESCCC(C(=O)NC)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C17H25NO/c1-3-15(16(19)18-2)17(12-8-5-9-13-17)14-10-6-4-7-11-14/h4,6-7,10-11,15H,3,5,8-9,12-13H2,1-2H3,(H,18,19)
InChIKeyQAHNEEKXMMRNOC-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.66
Rot. Bonds4

About N-methyl-2-(1-phenylcyclohexyl)butanamide

N-methyl-2-(1-phenylcyclohexyl)butanamide (PubChem CID 68983886) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-methyl-2-(1-phenylcyclohexyl)butanamide.

Molecular Properties

Compound NameN-methyl-2-(1-phenylcyclohexyl)butanamide
PubChem CID68983886
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-methyl-2-(1-phenylcyclohexyl)butanamide
SMILESCCC(C(=O)NC)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C17H25NO/c1-3-15(16(19)18-2)17(12-8-5-9-13-17)14-10-6-4-7-11-14/h4,6-7,10-11,15H,3,5,8-9,12-13H2,1-2H3,(H,18,19)
InChIKeyQAHNEEKXMMRNOC-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-phenylcyclohexyl)pentan-1-ol
CID 55187170
N-ethyl-1-(1-phenylcyclopentyl)propan-1-amine
CID 63079391
2-[1-(4-aminophenyl)cyclobutyl]butanoic acid
CID 91543676
2-(1-hydroxycyclohexyl)-N-methyl-2-phenylacetamide
CID 70447762
N-methyl-1-(1-phenylcyclohexyl)heptan-1-amine
CID 63418164
N,3-dimethyl-1-(1-phenylcyclopentyl)pentan-1-amine
CID 55187965
N-ethyl-4-methyl-1-(1-phenylcyclohexyl)pentan-1-amine
CID 63417631
N-ethyl-1-(1-phenylcyclohexyl)pentan-1-amine
CID 63417587
2-methylidene-3-(3-phenyloxetan-3-yl)pentanoic acid
CID 68619709
N-[1-(1-phenylcyclopentyl)ethyl]propan-1-amine
CID 63079548
acetic acid;azane;N-ethyl-1-phenylcyclohexan-1-amine
CID 19095095
1-(1-phenylcyclohexyl)octan-1-amine
CID 63417810

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-phenylcyclohexyl)butanamide?
The IUPAC name of N-methyl-2-(1-phenylcyclohexyl)butanamide (CID 68983886) is N-methyl-2-(1-phenylcyclohexyl)butanamide.
What is the SMILES notation for N-methyl-2-(1-phenylcyclohexyl)butanamide?
The canonical SMILES for N-methyl-2-(1-phenylcyclohexyl)butanamide is CCC(C(=O)NC)C1(c2ccccc2)CCCCC1.
What is the InChIKey of N-methyl-2-(1-phenylcyclohexyl)butanamide?
The InChIKey is QAHNEEKXMMRNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-15(16(19)18-2)17(12-8-5-9-13-17)14-10-6-4-7-11-14/h4,6-7,10-11,15H,3,5,8-9,12-13H2,1-2H3,(H,18,19).
What are the key properties of N-methyl-2-(1-phenylcyclohexyl)butanamide?
N-methyl-2-(1-phenylcyclohexyl)butanamide has a molecular weight of 259.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-phenylcyclohexyl)butanamide is sourced from PubChem (CID 68983886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).