3-(3,4-dimethylanilino)propanamide

C11H16N2O — CID 43131963

IUPAC3-(3,4-dimethylanilino)propanamide
SMILESCc1ccc(NCCC(N)=O)cc1C
InChIInChI=1S/C11H16N2O/c1-8-3-4-10(7-9(8)2)13-6-5-11(12)14/h3-4,7,13H,5-6H2,1-2H3,(H2,12,14)
InChIKeyRQVAFZVBWOQFEN-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.59
Rot. Bonds4

About 3-(3,4-dimethylanilino)propanamide

3-(3,4-dimethylanilino)propanamide (PubChem CID 43131963) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(3,4-dimethylanilino)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylanilino)propanamide
PubChem CID43131963
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-(3,4-dimethylanilino)propanamide
SMILESCc1ccc(NCCC(N)=O)cc1C
InChIInChI=1S/C11H16N2O/c1-8-3-4-10(7-9(8)2)13-6-5-11(12)14/h3-4,7,13H,5-6H2,1-2H3,(H2,12,14)
InChIKeyRQVAFZVBWOQFEN-UHFFFAOYSA-N
XLogP1.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3,4-dimethylanilino)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

2-(3,4-dimethylanilino)acetamide
CID 28580413
3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one
CID 4051768
3-(4-bromoanilino)propanamide;ethane
CID 169234714
3-[(3-amino-3-oxopropyl)amino]benzamide
CID 107811145
3-(3,4-dicyanoanilino)propanamide
CID 107789225
2-amino-4-[(3-amino-3-oxopropyl)amino]benzoic acid
CID 104500261
3-(3,4-dimethylanilino)-1-(5-methylfuran-2-yl)propan-1-one
CID 877362
3-(2,6-difluoro-3-methylanilino)propanamide
CID 82818003
3-(4-propylanilino)propanamide
CID 43244066
3-(3-methoxyanilino)propanamide
CID 43131962
2-(3,4-dimethylanilino)-N-methylacetamide
CID 28580460
3-(4-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
CID 109035446

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylanilino)propanamide?
The IUPAC name of 3-(3,4-dimethylanilino)propanamide (CID 43131963) is 3-(3,4-dimethylanilino)propanamide.
What is the SMILES notation for 3-(3,4-dimethylanilino)propanamide?
The canonical SMILES for 3-(3,4-dimethylanilino)propanamide is Cc1ccc(NCCC(N)=O)cc1C.
What is the InChIKey of 3-(3,4-dimethylanilino)propanamide?
The InChIKey is RQVAFZVBWOQFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-3-4-10(7-9(8)2)13-6-5-11(12)14/h3-4,7,13H,5-6H2,1-2H3,(H2,12,14).
What are the key properties of 3-(3,4-dimethylanilino)propanamide?
3-(3,4-dimethylanilino)propanamide has a molecular weight of 192.26 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylanilino)propanamide is sourced from PubChem (CID 43131963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).