4-cyano-N-(3,5-dimethylcyclohexyl)benzamide

C16H20N2O — CID 64724364

IUPAC4-cyano-N-(3,5-dimethylcyclohexyl)benzamide
SMILESCC1CC(C)CC(NC(=O)c2ccc(C#N)cc2)C1
InChIInChI=1S/C16H20N2O/c1-11-7-12(2)9-15(8-11)18-16(19)14-5-3-13(10-17)4-6-14/h3-6,11-12,15H,7-9H2,1-2H3,(H,18,19)
InChIKeyABGJPMLZCBSQRJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.11
Rot. Bonds2

About 4-cyano-N-(3,5-dimethylcyclohexyl)benzamide

4-cyano-N-(3,5-dimethylcyclohexyl)benzamide (PubChem CID 64724364) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-cyano-N-(3,5-dimethylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(3,5-dimethylcyclohexyl)benzamide
PubChem CID64724364
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-cyano-N-(3,5-dimethylcyclohexyl)benzamide
SMILESCC1CC(C)CC(NC(=O)c2ccc(C#N)cc2)C1
InChIInChI=1S/C16H20N2O/c1-11-7-12(2)9-15(8-11)18-16(19)14-5-3-13(10-17)4-6-14/h3-6,11-12,15H,7-9H2,1-2H3,(H,18,19)
InChIKeyABGJPMLZCBSQRJ-UHFFFAOYSA-N
XLogP3.11
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyano-N-(3-methylcyclohexyl)benzamide
CID 43244094
4-cyano-N-(3-ethoxycyclobutyl)benzamide
CID 102610611
N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
CID 17463259
N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-cyanobenzamide
CID 31679594
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097
4-cyano-N-(2-methyloxolan-3-yl)benzamide
CID 82729229
4-cyano-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7123831
4-cyano-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7123830
4-cyano-N-(2-propylcyclopropyl)benzamide
CID 103713616
4-cyano-N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75279377
ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 17473701
4-amino-3-chloro-N-(3,5-dimethylcyclohexyl)benzamide
CID 64733696

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3,5-dimethylcyclohexyl)benzamide?
The IUPAC name of 4-cyano-N-(3,5-dimethylcyclohexyl)benzamide (CID 64724364) is 4-cyano-N-(3,5-dimethylcyclohexyl)benzamide.
What is the SMILES notation for 4-cyano-N-(3,5-dimethylcyclohexyl)benzamide?
The canonical SMILES for 4-cyano-N-(3,5-dimethylcyclohexyl)benzamide is CC1CC(C)CC(NC(=O)c2ccc(C#N)cc2)C1.
What is the InChIKey of 4-cyano-N-(3,5-dimethylcyclohexyl)benzamide?
The InChIKey is ABGJPMLZCBSQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-7-12(2)9-15(8-11)18-16(19)14-5-3-13(10-17)4-6-14/h3-6,11-12,15H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 4-cyano-N-(3,5-dimethylcyclohexyl)benzamide?
4-cyano-N-(3,5-dimethylcyclohexyl)benzamide has a molecular weight of 256.35 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3,5-dimethylcyclohexyl)benzamide is sourced from PubChem (CID 64724364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).