3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide

C13H20N2O — CID 83629596

IUPAC3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide
SMILESCc1cccc(C(C)NC(=O)CCN)c1C
InChIInChI=1S/C13H20N2O/c1-9-5-4-6-12(10(9)2)11(3)15-13(16)7-8-14/h4-6,11H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyATGRCEONSKOLSI-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.83
Rot. Bonds4

About 3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide

3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide (PubChem CID 83629596) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide
PubChem CID83629596
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide
SMILESCc1cccc(C(C)NC(=O)CCN)c1C
InChIInChI=1S/C13H20N2O/c1-9-5-4-6-12(10(9)2)11(3)15-13(16)7-8-14/h4-6,11H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyATGRCEONSKOLSI-UHFFFAOYSA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-[1-(2,3-dimethylphenyl)ethyl]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

3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 81380300
4-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]benzamide
CID 119327103
4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide
CID 81087139
(2S,5R)-5-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 120793696
(2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 119789746
3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81360634
1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119789718
3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride
CID 119323120
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
CID 81380310
(2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119327098
2-[2-(aminomethyl)phenyl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 81312311

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide?
The IUPAC name of 3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide (CID 83629596) is 3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide is Cc1cccc(C(C)NC(=O)CCN)c1C.
What is the InChIKey of 3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide?
The InChIKey is ATGRCEONSKOLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-5-4-6-12(10(9)2)11(3)15-13(16)7-8-14/h4-6,11H,7-8,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide?
3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide has a molecular weight of 220.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 83629596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).