3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide;hydrochloride

C14H23ClN2O2 — CID 12546917

IUPAC3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide;hydrochloride
SMILESCCCOc1cc(C)c(NC(=O)CCN)c(C)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-4-7-18-12-8-10(2)14(11(3)9-12)16-13(17)5-6-15;/h8-9H,4-7,15H2,1-3H3,(H,16,17);1H
InChIKeyOWKLGFPXSMQWRG-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.80
Rot. Bonds6

About 3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide;hydrochloride

3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide;hydrochloride (PubChem CID 12546917) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide;hydrochloride
PubChem CID12546917
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide;hydrochloride
SMILESCCCOc1cc(C)c(NC(=O)CCN)c(C)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-4-7-18-12-8-10(2)14(11(3)9-12)16-13(17)5-6-15;/h8-9H,4-7,15H2,1-3H3,(H,16,17);1H
InChIKeyOWKLGFPXSMQWRG-UHFFFAOYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide;hydrochloride 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

4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
N-(4-Methoxy-2-methylphenyl)-acetamide
CID 95082
4-Methylformamido-3,5-xylyl methylcarbamate
CID 25069
3-[(2,4-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 941920
6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one
CID 664029
3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one
CID 664711
6-Methoxy-3-phenylaminomethyl-quinolin-2-ol
CID 942126
6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 943158
6-ethoxyspiro[1H-quinoline-2,4'-piperidine]
CID 44383698
3-[(4-ethoxyanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 943093
6-methoxy-3-[(2-methylanilino)methyl]-1H-quinolin-2-one
CID 944292
Acetamide, N-(4-(acetyloxy)-2,6-dimethylphenyl)-
CID 214380

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide;hydrochloride (CID 12546917) is 3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide;hydrochloride is CCCOc1cc(C)c(NC(=O)CCN)c(C)c1.Cl.
What is the InChIKey of 3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide;hydrochloride?
The InChIKey is OWKLGFPXSMQWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-4-7-18-12-8-10(2)14(11(3)9-12)16-13(17)5-6-15;/h8-9H,4-7,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide;hydrochloride?
3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 12546917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).