N-(4-cyanophenyl)-N,3-dimethylpentanamide

C14H18N2O — CID 114874745

IUPACN-(4-cyanophenyl)-N,3-dimethylpentanamide
SMILESCCC(C)CC(=O)N(C)c1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O/c1-4-11(2)9-14(17)16(3)13-7-5-12(10-15)6-8-13/h5-8,11H,4,9H2,1-3H3
InChIKeySKHYVUGLZYLUHG-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.96
Rot. Bonds4

About N-(4-cyanophenyl)-N,3-dimethylpentanamide

N-(4-cyanophenyl)-N,3-dimethylpentanamide (PubChem CID 114874745) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N,3-dimethylpentanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N,3-dimethylpentanamide
PubChem CID114874745
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(4-cyanophenyl)-N,3-dimethylpentanamide
SMILESCCC(C)CC(=O)N(C)c1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O/c1-4-11(2)9-14(17)16(3)13-7-5-12(10-15)6-8-13/h5-8,11H,4,9H2,1-3H3
InChIKeySKHYVUGLZYLUHG-UHFFFAOYSA-N
XLogP2.96
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethyl-N-phenylpentanamide
CID 147359069
N-(4-cyanophenyl)-N-methyldecanamide
CID 65449344
2-bromo-N-(4-cyanophenyl)-N-methylacetamide
CID 63679745
1-(4-cyanophenyl)-3,3-diethyl-1-methylurea
CID 79161464
2-cyano-N-(4-cyanophenyl)-N-methylbutanamide
CID 62981149
ethyl 2-(4-cyano-N-methylanilino)butanoate
CID 64660938
ethyl 3-(4-cyano-N-methylanilino)-2-methylpropanoate
CID 62980813
N-(1-cyanoethyl)-N,3-dimethylpentanamide
CID 114874733
2-[2-(4-cyano-N-methylanilino)-2-oxoethoxy]acetic acid
CID 62983344
N-(4-cyanophenyl)-2-cyclopentyl-N-methylacetamide
CID 55141963
(2S)-2-[[(4-cyanophenyl)-methylcarbamoyl]amino]pentanoic acid
CID 107566902
N-butan-2-yl-2-(4-cyano-N-methylanilino)propanamide
CID 55140413

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N,3-dimethylpentanamide?
The IUPAC name of N-(4-cyanophenyl)-N,3-dimethylpentanamide (CID 114874745) is N-(4-cyanophenyl)-N,3-dimethylpentanamide.
What is the SMILES notation for N-(4-cyanophenyl)-N,3-dimethylpentanamide?
The canonical SMILES for N-(4-cyanophenyl)-N,3-dimethylpentanamide is CCC(C)CC(=O)N(C)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N,3-dimethylpentanamide?
The InChIKey is SKHYVUGLZYLUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-11(2)9-14(17)16(3)13-7-5-12(10-15)6-8-13/h5-8,11H,4,9H2,1-3H3.
What are the key properties of N-(4-cyanophenyl)-N,3-dimethylpentanamide?
N-(4-cyanophenyl)-N,3-dimethylpentanamide has a molecular weight of 230.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N,3-dimethylpentanamide is sourced from PubChem (CID 114874745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).