3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide

C12H19N3O — CID 106914261

IUPAC3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1ccccc1N
InChIInChI=1S/C12H19N3O/c1-9(12(16)14-2)8-15(3)11-7-5-4-6-10(11)13/h4-7,9H,8,13H2,1-3H3,(H,14,16)
InChIKeyXKJFKGNAOWENPI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.09
Rot. Bonds4

About 3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide

3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide (PubChem CID 106914261) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide
PubChem CID106914261
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1ccccc1N
InChIInChI=1S/C12H19N3O/c1-9(12(16)14-2)8-15(3)11-7-5-4-6-10(11)13/h4-7,9H,8,13H2,1-3H3,(H,14,16)
InChIKeyXKJFKGNAOWENPI-UHFFFAOYSA-N
XLogP1.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-amino-N-methylanilino)-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

Related Compounds

3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916440
3-(2-amino-N-methyl-4-sulfamoylanilino)-N,2-dimethylpropanamide
CID 106914323
3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide
CID 106914387
3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide
CID 106914273
methyl 3-amino-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzoate
CID 106917760
3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916443
4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide
CID 106914354
3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide
CID 106916853
3-[(3-amino-2-methylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914050
2-amino-3-fluoro-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzoic acid
CID 106916094
3-amino-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913813
3-[2-amino-5-(difluoromethoxy)-4-fluoro-N-methylanilino]-N,2-dimethylpropanamide
CID 106914404

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide?
The IUPAC name of 3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide (CID 106914261) is 3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide.
What is the SMILES notation for 3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide?
The canonical SMILES for 3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1ccccc1N.
What is the InChIKey of 3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide?
The InChIKey is XKJFKGNAOWENPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(12(16)14-2)8-15(3)11-7-5-4-6-10(11)13/h4-7,9H,8,13H2,1-3H3,(H,14,16).
What are the key properties of 3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide?
3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide has a molecular weight of 221.30 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide is sourced from PubChem (CID 106914261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).