2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide

C13H17N3O — CID 79811112

IUPAC2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide
SMILESCCC(C)(N)C(=O)N(C)c1ccc(C#N)cc1
InChIInChI=1S/C13H17N3O/c1-4-13(2,15)12(17)16(3)11-7-5-10(9-14)6-8-11/h5-8H,4,15H2,1-3H3
InChIKeySZVPWQFQAOTXGJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.65
Rot. Bonds3

About 2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide

2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide (PubChem CID 79811112) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide
PubChem CID79811112
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide
SMILESCCC(C)(N)C(=O)N(C)c1ccc(C#N)cc1
InChIInChI=1S/C13H17N3O/c1-4-13(2,15)12(17)16(3)11-7-5-10(9-14)6-8-11/h5-8H,4,15H2,1-3H3
InChIKeySZVPWQFQAOTXGJ-UHFFFAOYSA-N
XLogP1.65
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide 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

2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide
CID 62983360
N-(4-cyanophenyl)-2-methoxy-N,2-dimethylbutanamide
CID 114105638
N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 103429961
N-(4-cyanophenyl)-2-(ethylamino)-N,2-dimethylpropanamide
CID 62982145
2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide
CID 79805228
N-[4-[3-(4-cyanophenoxy)propoxy]phenyl]-N,2,2-trimethylpropanamide
CID 112827984
2-bromo-N-(4-cyanophenyl)-N-methylacetamide
CID 63679745
1-(4-cyanophenyl)-3,3-diethyl-1-methylurea
CID 79161464
2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide
CID 79813224
1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide
CID 65464094
2-cyano-N-(4-cyanophenyl)-N-methylbutanamide
CID 62981149
N-(4-cyanophenyl)-N-methyldecanamide
CID 65449344

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide?
The IUPAC name of 2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide (CID 79811112) is 2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide is CCC(C)(N)C(=O)N(C)c1ccc(C#N)cc1.
What is the InChIKey of 2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide?
The InChIKey is SZVPWQFQAOTXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-4-13(2,15)12(17)16(3)11-7-5-10(9-14)6-8-11/h5-8H,4,15H2,1-3H3.
What are the key properties of 2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide?
2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide has a molecular weight of 231.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide is sourced from PubChem (CID 79811112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).