3-cyano-N-(3,3-dimethylbutyl)propanamide

C10H18N2O — CID 115173922

IUPAC3-cyano-N-(3,3-dimethylbutyl)propanamide
SMILESCC(C)(C)CCNC(=O)CCC#N
InChIInChI=1S/C10H18N2O/c1-10(2,3)6-8-12-9(13)5-4-7-11/h4-6,8H2,1-3H3,(H,12,13)
InChIKeyPLZZMWQTDXNEIN-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.84
Rot. Bonds4

About 3-cyano-N-(3,3-dimethylbutyl)propanamide

3-cyano-N-(3,3-dimethylbutyl)propanamide (PubChem CID 115173922) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-cyano-N-(3,3-dimethylbutyl)propanamide.

Molecular Properties

Compound Name3-cyano-N-(3,3-dimethylbutyl)propanamide
PubChem CID115173922
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-cyano-N-(3,3-dimethylbutyl)propanamide
SMILESCC(C)(C)CCNC(=O)CCC#N
InChIInChI=1S/C10H18N2O/c1-10(2,3)6-8-12-9(13)5-4-7-11/h4-6,8H2,1-3H3,(H,12,13)
InChIKeyPLZZMWQTDXNEIN-UHFFFAOYSA-N
XLogP1.84
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyano-N-(3,3-dimethylbutyl)propanamide 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

N-(3,3-dimethylbutyl)butanamide
CID 115580246
N-(3,3-dimethylbutyl)-4-(methylamino)butanamide
CID 115738133
N-(3,3-dimethylbutyl)-2-hydroxyacetamide
CID 115140033
N-(2-cyanoethyl)butanamide
CID 14899794
3-cyano-N-(2-methylpropyl)propanamide
CID 82111206
N-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide
CID 165080443
3-cyano-N-[2-(4-ethylphenyl)ethyl]propanamide
CID 94685245
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N-(3-ethyl-3-hydroxypentyl)-4,4-dimethylpentanamide
CID 130469220
3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide
CID 115174087
N-(3,3-dimethylbutyl)-3-[2-(methylamino)ethylsulfinyl]propanamide
CID 146579682

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3,3-dimethylbutyl)propanamide?
The IUPAC name of 3-cyano-N-(3,3-dimethylbutyl)propanamide (CID 115173922) is 3-cyano-N-(3,3-dimethylbutyl)propanamide.
What is the SMILES notation for 3-cyano-N-(3,3-dimethylbutyl)propanamide?
The canonical SMILES for 3-cyano-N-(3,3-dimethylbutyl)propanamide is CC(C)(C)CCNC(=O)CCC#N.
What is the InChIKey of 3-cyano-N-(3,3-dimethylbutyl)propanamide?
The InChIKey is PLZZMWQTDXNEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(2,3)6-8-12-9(13)5-4-7-11/h4-6,8H2,1-3H3,(H,12,13).
What are the key properties of 3-cyano-N-(3,3-dimethylbutyl)propanamide?
3-cyano-N-(3,3-dimethylbutyl)propanamide has a molecular weight of 182.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(3,3-dimethylbutyl)propanamide is sourced from PubChem (CID 115173922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).