3-cyano-N-(3-ethylpent-1-yn-3-yl)benzamide

C15H16N2O — CID 18165823

IUPAC3-cyano-N-(3-ethylpent-1-yn-3-yl)benzamide
SMILESC#CC(CC)(CC)NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H16N2O/c1-4-15(5-2,6-3)17-14(18)13-9-7-8-12(10-13)11-16/h1,7-10H,5-6H2,2-3H3,(H,17,18)
InChIKeySFZWMLRJPHGKCN-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.48
Rot. Bonds4

About 3-cyano-N-(3-ethylpent-1-yn-3-yl)benzamide

3-cyano-N-(3-ethylpent-1-yn-3-yl)benzamide (PubChem CID 18165823) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-cyano-N-(3-ethylpent-1-yn-3-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(3-ethylpent-1-yn-3-yl)benzamide
PubChem CID18165823
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-cyano-N-(3-ethylpent-1-yn-3-yl)benzamide
SMILESC#CC(CC)(CC)NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H16N2O/c1-4-15(5-2,6-3)17-14(18)13-9-7-8-12(10-13)11-16/h1,7-10H,5-6H2,2-3H3,(H,17,18)
InChIKeySFZWMLRJPHGKCN-UHFFFAOYSA-N
XLogP2.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-cyano-N-(3-ethylpent-1-yn-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyano-N-(2-methylpentan-2-yl)benzamide
CID 49366750
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
N-(1-chloro-2-phenylpropan-2-yl)-3-cyanobenzamide
CID 105059815
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyanobenzamide
CID 113283477
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
3-(azanylidyne(113C)methyl)(13C)benzoic acid
CID 76973042
3-cyano-N-(2-ethoxyethyl)benzamide
CID 43591437
N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 65042615
3-cyano-N-(2-thiophen-2-ylpropan-2-yl)benzamide
CID 110870539
3-(3-oxopentanoyl)benzonitrile
CID 63990730
1-tert-butyl-3-[(3-cyanobenzoyl)amino]thiourea
CID 9425663
N-(3-ethylpent-1-yn-3-yl)-3-methyl-4-nitrobenzamide
CID 18165891

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3-ethylpent-1-yn-3-yl)benzamide?
The IUPAC name of 3-cyano-N-(3-ethylpent-1-yn-3-yl)benzamide (CID 18165823) is 3-cyano-N-(3-ethylpent-1-yn-3-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(3-ethylpent-1-yn-3-yl)benzamide?
The canonical SMILES for 3-cyano-N-(3-ethylpent-1-yn-3-yl)benzamide is C#CC(CC)(CC)NC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-(3-ethylpent-1-yn-3-yl)benzamide?
The InChIKey is SFZWMLRJPHGKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-4-15(5-2,6-3)17-14(18)13-9-7-8-12(10-13)11-16/h1,7-10H,5-6H2,2-3H3,(H,17,18).
What are the key properties of 3-cyano-N-(3-ethylpent-1-yn-3-yl)benzamide?
3-cyano-N-(3-ethylpent-1-yn-3-yl)benzamide has a molecular weight of 240.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(3-ethylpent-1-yn-3-yl)benzamide is sourced from PubChem (CID 18165823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).