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

C14H18N2O — CID 60588260

IUPACN-(3-cyanophenyl)-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)c1cccc(C#N)c1
InChIInChI=1S/C14H18N2O/c1-11(2)7-8-14(17)16(3)13-6-4-5-12(9-13)10-15/h4-6,9,11H,7-8H2,1-3H3
InChIKeyPCDCZWMHRKHKEG-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.96
Rot. Bonds4

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

N-(3-cyanophenyl)-N,4-dimethylpentanamide (PubChem CID 60588260) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N,4-dimethylpentanamide
PubChem CID60588260
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(3-cyanophenyl)-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)c1cccc(C#N)c1
InChIInChI=1S/C14H18N2O/c1-11(2)7-8-14(17)16(3)13-6-4-5-12(9-13)10-15/h4-6,9,11H,7-8H2,1-3H3
InChIKeyPCDCZWMHRKHKEG-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-cyanophenyl)-N-methyl-3-phenylpropanamide
CID 47407952
N-(3-hydroxyphenyl)-N,4-dimethylpentanamide
CID 107735895
5-bromo-N-(3-cyanophenyl)-N-methylpentanamide
CID 107910030
6-amino-N-(3-cyanophenyl)-N-methylhexanamide
CID 62983019
N-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide
CID 62982673
N-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide
CID 78974691
N-(3-cyanophenyl)-N,2-dimethylpentanamide
CID 55151892
2-amino-N-(3-cyanophenyl)-N-methylpropanamide
CID 62981812
N-(3-cyanophenyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide
CID 62982489
2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide
CID 60616456
3-[[(3-cyanophenyl)-methylcarbamoyl]-methylamino]propanoic acid
CID 62981867
N-(3-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide
CID 47407985

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N,4-dimethylpentanamide?
The IUPAC name of N-(3-cyanophenyl)-N,4-dimethylpentanamide (CID 60588260) is N-(3-cyanophenyl)-N,4-dimethylpentanamide.
What is the SMILES notation for N-(3-cyanophenyl)-N,4-dimethylpentanamide?
The canonical SMILES for N-(3-cyanophenyl)-N,4-dimethylpentanamide is CC(C)CCC(=O)N(C)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-N,4-dimethylpentanamide?
The InChIKey is PCDCZWMHRKHKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11(2)7-8-14(17)16(3)13-6-4-5-12(9-13)10-15/h4-6,9,11H,7-8H2,1-3H3.
What are the key properties of N-(3-cyanophenyl)-N,4-dimethylpentanamide?
N-(3-cyanophenyl)-N,4-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-(3-cyanophenyl)-N,4-dimethylpentanamide is sourced from PubChem (CID 60588260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).