2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide

C15H21N3O — CID 80556874

IUPAC2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide
SMILESCC(C#N)CN(C)C(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C15H21N3O/c1-11(9-16)10-18(4)14(19)15(2,3)12-5-7-13(17)8-6-12/h5-8,11H,10,17H2,1-4H3
InChIKeyHPIDFTIGWUMELG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.16
Rot. Bonds4

About 2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide

2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide (PubChem CID 80556874) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide
PubChem CID80556874
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide
SMILESCC(C#N)CN(C)C(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C15H21N3O/c1-11(9-16)10-18(4)14(19)15(2,3)12-5-7-13(17)8-6-12/h5-8,11H,10,17H2,1-4H3
InChIKeyHPIDFTIGWUMELG-UHFFFAOYSA-N
XLogP2.16
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide (CID 80556874) is 2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide is CC(C#N)CN(C)C(=O)C(C)(C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide?
The InChIKey is HPIDFTIGWUMELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(9-16)10-18(4)14(19)15(2,3)12-5-7-13(17)8-6-12/h5-8,11H,10,17H2,1-4H3.
What are the key properties of 2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide?
2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide has a molecular weight of 259.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 80556874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).