1-cyano-N-(3-phenylbutyl)cyclohexane-1-carboxamide

C18H24N2O — CID 62404207

IUPAC1-cyano-N-(3-phenylbutyl)cyclohexane-1-carboxamide
SMILESCC(CCNC(=O)C1(C#N)CCCCC1)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-15(16-8-4-2-5-9-16)10-13-20-17(21)18(14-19)11-6-3-7-12-18/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3,(H,20,21)
InChIKeyAIDGJBNXXKABAD-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.77
Rot. Bonds5

About 1-cyano-N-(3-phenylbutyl)cyclohexane-1-carboxamide

1-cyano-N-(3-phenylbutyl)cyclohexane-1-carboxamide (PubChem CID 62404207) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-cyano-N-(3-phenylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(3-phenylbutyl)cyclohexane-1-carboxamide
PubChem CID62404207
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-cyano-N-(3-phenylbutyl)cyclohexane-1-carboxamide
SMILESCC(CCNC(=O)C1(C#N)CCCCC1)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-15(16-8-4-2-5-9-16)10-13-20-17(21)18(14-19)11-6-3-7-12-18/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3,(H,20,21)
InChIKeyAIDGJBNXXKABAD-UHFFFAOYSA-N
XLogP3.77
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(3-phenylbutyl)cyclopropane-1-carboxamide
CID 65464091
1-(3-phenylbutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62987535
1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide
CID 60738598
1-cyano-N-(5-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide
CID 106161672
4-ethyl-N-(3-phenylbutyl)piperidine-4-carboxamide
CID 63129508
1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 99703015
1-cyano-N-[3-(N-ethylanilino)propyl]cyclopentane-1-carboxamide
CID 39644042
1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 110908761
1-cyano-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
CID 61461120
N-(3-phenylbutyl)benzamide
CID 62403316
1-cyano-N-(2-methyl-2-phenylpropyl)cyclobutane-1-carboxamide
CID 115183413
methyl 3-[(1-cyanocyclohexanecarbonyl)amino]propanoate
CID 60584075

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3-phenylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(3-phenylbutyl)cyclohexane-1-carboxamide (CID 62404207) is 1-cyano-N-(3-phenylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(3-phenylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(3-phenylbutyl)cyclohexane-1-carboxamide is CC(CCNC(=O)C1(C#N)CCCCC1)c1ccccc1.
What is the InChIKey of 1-cyano-N-(3-phenylbutyl)cyclohexane-1-carboxamide?
The InChIKey is AIDGJBNXXKABAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-15(16-8-4-2-5-9-16)10-13-20-17(21)18(14-19)11-6-3-7-12-18/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3,(H,20,21).
What are the key properties of 1-cyano-N-(3-phenylbutyl)cyclohexane-1-carboxamide?
1-cyano-N-(3-phenylbutyl)cyclohexane-1-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3-phenylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62404207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).