3-cyano-N-[1-(propylcarbamoyl)cyclohexyl]benzamide

C18H23N3O2 — CID 51107951

IUPAC3-cyano-N-[1-(propylcarbamoyl)cyclohexyl]benzamide
SMILESCCCNC(=O)C1(NC(=O)c2cccc(C#N)c2)CCCCC1
InChIInChI=1S/C18H23N3O2/c1-2-11-20-17(23)18(9-4-3-5-10-18)21-16(22)15-8-6-7-14(12-15)13-19/h6-8,12H,2-5,9-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyHAULGRGHWPEGJW-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.52
Rot. Bonds5

About 3-cyano-N-[1-(propylcarbamoyl)cyclohexyl]benzamide

3-cyano-N-[1-(propylcarbamoyl)cyclohexyl]benzamide (PubChem CID 51107951) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-cyano-N-[1-(propylcarbamoyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[1-(propylcarbamoyl)cyclohexyl]benzamide
PubChem CID51107951
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-cyano-N-[1-(propylcarbamoyl)cyclohexyl]benzamide
SMILESCCCNC(=O)C1(NC(=O)c2cccc(C#N)c2)CCCCC1
InChIInChI=1S/C18H23N3O2/c1-2-11-20-17(23)18(9-4-3-5-10-18)21-16(22)15-8-6-7-14(12-15)13-19/h6-8,12H,2-5,9-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyHAULGRGHWPEGJW-UHFFFAOYSA-N
XLogP2.52
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(1-methylcyclobutyl)benzamide
CID 115766115
3-cyano-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46820237
3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide
CID 105417747
3-(dimethylsulfamoyl)-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide
CID 55768153
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]-3-cyanobenzamide
CID 166317885
3-cyano-N-(2-ethoxyethyl)benzamide
CID 43591437
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
1-[(2-hydroxy-2-phenylacetyl)amino]-N-propylcyclohexane-1-carboxamide
CID 111432652
1-[(3-cyanobenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294493
N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
CID 78993904
3-cyano-N-(2-methylpentan-2-yl)benzamide
CID 49366750

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-(propylcarbamoyl)cyclohexyl]benzamide?
The IUPAC name of 3-cyano-N-[1-(propylcarbamoyl)cyclohexyl]benzamide (CID 51107951) is 3-cyano-N-[1-(propylcarbamoyl)cyclohexyl]benzamide.
What is the SMILES notation for 3-cyano-N-[1-(propylcarbamoyl)cyclohexyl]benzamide?
The canonical SMILES for 3-cyano-N-[1-(propylcarbamoyl)cyclohexyl]benzamide is CCCNC(=O)C1(NC(=O)c2cccc(C#N)c2)CCCCC1.
What is the InChIKey of 3-cyano-N-[1-(propylcarbamoyl)cyclohexyl]benzamide?
The InChIKey is HAULGRGHWPEGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-11-20-17(23)18(9-4-3-5-10-18)21-16(22)15-8-6-7-14(12-15)13-19/h6-8,12H,2-5,9-11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-cyano-N-[1-(propylcarbamoyl)cyclohexyl]benzamide?
3-cyano-N-[1-(propylcarbamoyl)cyclohexyl]benzamide has a molecular weight of 313.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-(propylcarbamoyl)cyclohexyl]benzamide is sourced from PubChem (CID 51107951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).