3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide

C13H20N2O — CID 83535959

IUPAC3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
SMILESCc1ccc(N(C)C(=O)C(C)CN)cc1C
InChIInChI=1S/C13H20N2O/c1-9-5-6-12(7-10(9)2)15(4)13(16)11(3)8-14/h5-7,11H,8,14H2,1-4H3
InChIKeyGRLSNMJFGLLBEI-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.86
Rot. Bonds3

About 3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide

3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide (PubChem CID 83535959) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
PubChem CID83535959
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
SMILESCc1ccc(N(C)C(=O)C(C)CN)cc1C
InChIInChI=1S/C13H20N2O/c1-9-5-6-12(7-10(9)2)15(4)13(16)11(3)8-14/h5-7,11H,8,14H2,1-4H3
InChIKeyGRLSNMJFGLLBEI-UHFFFAOYSA-N
XLogP1.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-(3,4-dimethylphenyl)-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

(2S)-3-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
CID 145175354
3-amino-N,2-dimethyl-N-(4-phenylphenyl)propanamide
CID 115153554
3-amino-N,2-dimethyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115153583
N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide
CID 123550338
3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 115153746
3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylpropanamide
CID 115153584
3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide
CID 115153596
2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine
CID 55263892
(2S)-2-amino-N-(4-hydroxy-3-methylphenyl)-N-methylpropanamide
CID 91082620
2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide
CID 115186880
N-(3,4-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide
CID 115188788
3-amino-N-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropanamide
CID 115153589

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide (CID 83535959) is 3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide is Cc1ccc(N(C)C(=O)C(C)CN)cc1C.
What is the InChIKey of 3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide?
The InChIKey is GRLSNMJFGLLBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-5-6-12(7-10(9)2)15(4)13(16)11(3)8-14/h5-7,11H,8,14H2,1-4H3.
What are the key properties of 3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide?
3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide has a molecular weight of 220.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 83535959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).