3-cyano-N-(2-methylpentan-2-yl)benzamide

C14H18N2O — CID 49366750

IUPAC3-cyano-N-(2-methylpentan-2-yl)benzamide
SMILESCCCC(C)(C)NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H18N2O/c1-4-8-14(2,3)16-13(17)12-7-5-6-11(9-12)10-15/h5-7,9H,4,8H2,1-3H3,(H,16,17)
InChIKeySQAMMRNMSPYMBO-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.87
Rot. Bonds4

About 3-cyano-N-(2-methylpentan-2-yl)benzamide

3-cyano-N-(2-methylpentan-2-yl)benzamide (PubChem CID 49366750) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-cyano-N-(2-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-methylpentan-2-yl)benzamide
PubChem CID49366750
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-cyano-N-(2-methylpentan-2-yl)benzamide
SMILESCCCC(C)(C)NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H18N2O/c1-4-8-14(2,3)16-13(17)12-7-5-6-11(9-12)10-15/h5-7,9H,4,8H2,1-3H3,(H,16,17)
InChIKeySQAMMRNMSPYMBO-UHFFFAOYSA-N
XLogP2.87
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N-(3-ethylpent-1-yn-3-yl)benzamide
CID 18165823
3-amino-N-(2-methylpentan-2-yl)benzamide;hydrochloride
CID 119763292
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-thiophen-2-ylpropan-2-yl)benzamide
CID 110870539
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
1-tert-butyl-3-[(3-cyanobenzoyl)amino]thiourea
CID 9425663
N-(3-bromo-2,2-dimethylpropyl)-3-cyanobenzamide
CID 115364797
3-cyano-N-(2,2-diphenylpropyl)benzamide
CID 16567575
4-cyano-N-[2-(2-methylpentan-2-ylamino)-2-oxoethyl]benzamide
CID 86816052
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
3-(azanylidyne(113C)methyl)(13C)benzoic acid
CID 76973042

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-methylpentan-2-yl)benzamide?
The IUPAC name of 3-cyano-N-(2-methylpentan-2-yl)benzamide (CID 49366750) is 3-cyano-N-(2-methylpentan-2-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-methylpentan-2-yl)benzamide?
The canonical SMILES for 3-cyano-N-(2-methylpentan-2-yl)benzamide is CCCC(C)(C)NC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-(2-methylpentan-2-yl)benzamide?
The InChIKey is SQAMMRNMSPYMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-8-14(2,3)16-13(17)12-7-5-6-11(9-12)10-15/h5-7,9H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 3-cyano-N-(2-methylpentan-2-yl)benzamide?
3-cyano-N-(2-methylpentan-2-yl)benzamide has a molecular weight of 230.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-methylpentan-2-yl)benzamide is sourced from PubChem (CID 49366750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).