3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride

C11H17ClN2O — CID 50944164

IUPAC3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCN)c(C)c1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-12;/h3-4,7H,5-6,12H2,1-2H3,(H,13,14);1H
InChIKeyNCPRNNMKIXEMQW-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.01
Rot. Bonds3

About 3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride

3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride (PubChem CID 50944164) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
PubChem CID50944164
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCN)c(C)c1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-12;/h3-4,7H,5-6,12H2,1-2H3,(H,13,14);1H
InChIKeyNCPRNNMKIXEMQW-UHFFFAOYSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-acetamido-5-methylphenyl)-3-aminopropanamide
CID 82034596
N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
N-(2,4-dimethylphenyl)-3-sulfamoylpropanamide
CID 167944439
methyl 4-(3-aminopropanoylamino)-3-methylbenzoate
CID 43712706
N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide
CID 82034599
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
2-[4-(aminomethyl)phenyl]-N-(2,4-dimethylphenyl)acetamide
CID 63590839
N-(4-acetamido-3-methylphenyl)-3-aminopropanamide
CID 43698824
3-amino-N-(2-methyl-4-nitrophenyl)propanamide
CID 43424697
4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide
CID 54862801
N-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide
CID 109035088
N-(2,4-dimethylphenyl)-3-(propylamino)propanamide
CID 109011557

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride (CID 50944164) is 3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride is Cc1ccc(NC(=O)CCN)c(C)c1.Cl.
What is the InChIKey of 3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride?
The InChIKey is NCPRNNMKIXEMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-12;/h3-4,7H,5-6,12H2,1-2H3,(H,13,14);1H.
What are the key properties of 3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride?
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 50944164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).