N-[cyano(cyclohexyl)methyl]-3-methyl-4-oxo-4-phenylbutanamide

C19H24N2O2 — CID 154839987

IUPACN-[cyano(cyclohexyl)methyl]-3-methyl-4-oxo-4-phenylbutanamide
SMILESCC(CC(=O)NC(C#N)C1CCCCC1)C(=O)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-14(19(23)16-10-6-3-7-11-16)12-18(22)21-17(13-20)15-8-4-2-5-9-15/h3,6-7,10-11,14-15,17H,2,4-5,8-9,12H2,1H3,(H,21,22)
InChIKeyYSPFVHQIPXPCDI-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.48
Rot. Bonds6

About N-[cyano(cyclohexyl)methyl]-3-methyl-4-oxo-4-phenylbutanamide

N-[cyano(cyclohexyl)methyl]-3-methyl-4-oxo-4-phenylbutanamide (PubChem CID 154839987) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]-3-methyl-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]-3-methyl-4-oxo-4-phenylbutanamide
PubChem CID154839987
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[cyano(cyclohexyl)methyl]-3-methyl-4-oxo-4-phenylbutanamide
SMILESCC(CC(=O)NC(C#N)C1CCCCC1)C(=O)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-14(19(23)16-10-6-3-7-11-16)12-18(22)21-17(13-20)15-8-4-2-5-9-15/h3,6-7,10-11,14-15,17H,2,4-5,8-9,12H2,1H3,(H,21,22)
InChIKeyYSPFVHQIPXPCDI-UHFFFAOYSA-N
XLogP3.48
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano(cyclohexyl)methyl]-2-phenoxyacetamide
CID 61123203
N-[cyano(cyclopropyl)methyl]benzamide
CID 54594318
2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide
CID 95788640
2-cycloheptyl-1-phenylpropan-1-one
CID 104844954
3-methyl-4-oxo-4-phenylbutanoic acid
CID 12559087
(3S)-3-methyl-4-oxo-4-phenylbutanoic acid
CID 51900528
3-chloro-N-[cyano(cyclohexyl)methyl]benzamide
CID 61119808
(2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 134997515
2-bromo-N-[cyano(cyclohexyl)methyl]benzamide
CID 61124389
N-[cyano(cyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide
CID 62539335
N-[(S)-cyano(cyclohexyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 95788643
N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 71979380

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclohexyl)methyl]-3-methyl-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]-3-methyl-4-oxo-4-phenylbutanamide (CID 154839987) is N-[cyano(cyclohexyl)methyl]-3-methyl-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]-3-methyl-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]-3-methyl-4-oxo-4-phenylbutanamide is CC(CC(=O)NC(C#N)C1CCCCC1)C(=O)c1ccccc1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]-3-methyl-4-oxo-4-phenylbutanamide?
The InChIKey is YSPFVHQIPXPCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14(19(23)16-10-6-3-7-11-16)12-18(22)21-17(13-20)15-8-4-2-5-9-15/h3,6-7,10-11,14-15,17H,2,4-5,8-9,12H2,1H3,(H,21,22).
What are the key properties of N-[cyano(cyclohexyl)methyl]-3-methyl-4-oxo-4-phenylbutanamide?
N-[cyano(cyclohexyl)methyl]-3-methyl-4-oxo-4-phenylbutanamide has a molecular weight of 312.41 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]-3-methyl-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 154839987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).