4-cyano-N-(5-methylhexyl)benzamide

C15H20N2O — CID 79003058

IUPAC4-cyano-N-(5-methylhexyl)benzamide
SMILESCC(C)CCCCNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O/c1-12(2)5-3-4-10-17-15(18)14-8-6-13(11-16)7-9-14/h6-9,12H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyPSNLOCGWVMGTLP-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.11
Rot. Bonds6

About 4-cyano-N-(5-methylhexyl)benzamide

4-cyano-N-(5-methylhexyl)benzamide (PubChem CID 79003058) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-cyano-N-(5-methylhexyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(5-methylhexyl)benzamide
PubChem CID79003058
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-cyano-N-(5-methylhexyl)benzamide
SMILESCC(C)CCCCNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O/c1-12(2)5-3-4-10-17-15(18)14-8-6-13(11-16)7-9-14/h6-9,12H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyPSNLOCGWVMGTLP-UHFFFAOYSA-N
XLogP3.11
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide
CID 137466862
4-cyano-N-decylbenzamide
CID 14179073
4-amino-N-(6-methylheptyl)benzamide
CID 22753103
4-[[4-(4-methylpentylcarbamoyl)benzoyl]amino]butylazanide;rubidium(1+)
CID 171640058
4-cyano-N-(3-ethoxypropyl)benzamide
CID 24708113
N-(5-methylhexyl)-4-(propylamino)benzamide
CID 115327309
4-[(4-cyanobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832074
N-(2-aminopropyl)-4-cyanobenzamide
CID 63732512
2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide
CID 32613683
4-cyano-N-[2-(propylamino)ethyl]benzamide
CID 55100867
1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide
CID 11783188
4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572241

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(5-methylhexyl)benzamide?
The IUPAC name of 4-cyano-N-(5-methylhexyl)benzamide (CID 79003058) is 4-cyano-N-(5-methylhexyl)benzamide.
What is the SMILES notation for 4-cyano-N-(5-methylhexyl)benzamide?
The canonical SMILES for 4-cyano-N-(5-methylhexyl)benzamide is CC(C)CCCCNC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-(5-methylhexyl)benzamide?
The InChIKey is PSNLOCGWVMGTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(2)5-3-4-10-17-15(18)14-8-6-13(11-16)7-9-14/h6-9,12H,3-5,10H2,1-2H3,(H,17,18).
What are the key properties of 4-cyano-N-(5-methylhexyl)benzamide?
4-cyano-N-(5-methylhexyl)benzamide has a molecular weight of 244.34 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(5-methylhexyl)benzamide is sourced from PubChem (CID 79003058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).