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

C16H20N2O — CID 61458989

IUPAC1-cyano-N-(3-ethylphenyl)cyclohexane-1-carboxamide
SMILESCCc1cccc(NC(=O)C2(C#N)CCCCC2)c1
InChIInChI=1S/C16H20N2O/c1-2-13-7-6-8-14(11-13)18-15(19)16(12-17)9-4-3-5-10-16/h6-8,11H,2-5,9-10H2,1H3,(H,18,19)
InChIKeyAHEUJHIZTCLUPB-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.66
Rot. Bonds3

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

1-cyano-N-(3-ethylphenyl)cyclohexane-1-carboxamide (PubChem CID 61458989) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-cyano-N-(3-ethylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(3-ethylphenyl)cyclohexane-1-carboxamide
PubChem CID61458989
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-cyano-N-(3-ethylphenyl)cyclohexane-1-carboxamide
SMILESCCc1cccc(NC(=O)C2(C#N)CCCCC2)c1
InChIInChI=1S/C16H20N2O/c1-2-13-7-6-8-14(11-13)18-15(19)16(12-17)9-4-3-5-10-16/h6-8,11H,2-5,9-10H2,1H3,(H,18,19)
InChIKeyAHEUJHIZTCLUPB-UHFFFAOYSA-N
XLogP3.66
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-[3-(ethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 122134935
ethyl 3-[(1-cyanocyclohexanecarbonyl)amino]benzoate
CID 60584377
1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 80599319
3-[(1-cyanocyclopentanecarbonyl)amino]benzamide
CID 51246637
1-cyano-N-[3-(morpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide
CID 51096615
1-cyano-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 55021433
1-cyano-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 31841999
methyl 3-[2-[3-[(1-cyanocyclopentanecarbonyl)amino]phenyl]ethynyl]benzoate
CID 38162313
3-ethyl-N-(3-ethylphenyl)pyrrolidine-3-carboxamide
CID 55165902
1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide
CID 62812690
1-cyano-N-[3-(1,3-dithian-2-yl)phenyl]cyclopentane-1-carboxamide
CID 39629590
4-[(1-cyanocyclohexanecarbonyl)amino]benzamide
CID 60581823

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3-ethylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(3-ethylphenyl)cyclohexane-1-carboxamide (CID 61458989) is 1-cyano-N-(3-ethylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(3-ethylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(3-ethylphenyl)cyclohexane-1-carboxamide is CCc1cccc(NC(=O)C2(C#N)CCCCC2)c1.
What is the InChIKey of 1-cyano-N-(3-ethylphenyl)cyclohexane-1-carboxamide?
The InChIKey is AHEUJHIZTCLUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-13-7-6-8-14(11-13)18-15(19)16(12-17)9-4-3-5-10-16/h6-8,11H,2-5,9-10H2,1H3,(H,18,19).
What are the key properties of 1-cyano-N-(3-ethylphenyl)cyclohexane-1-carboxamide?
1-cyano-N-(3-ethylphenyl)cyclohexane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3-ethylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 61458989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).