2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride

C13H21ClN2O2 — CID 120983404

IUPAC2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NC(C)c1ccccc1C.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-9-6-4-5-7-11(9)10(2)15-13(16)12(14)8-17-3;/h4-7,10,12H,8,14H2,1-3H3,(H,15,16);1H
InChIKeyBSLQCGPJUSICKP-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.57
Rot. Bonds5

About 2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride

2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride (PubChem CID 120983404) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride
PubChem CID120983404
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NC(C)c1ccccc1C.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-9-6-4-5-7-11(9)10(2)15-13(16)12(14)8-17-3;/h4-7,10,12H,8,14H2,1-3H3,(H,15,16);1H
InChIKeyBSLQCGPJUSICKP-UHFFFAOYSA-N
XLogP1.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butanamide
CID 81380450
2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 81089691
2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983408
2-amino-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methoxypropanamide
CID 120992155
2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide
CID 112685603
2-amino-N-[1-(2-methylphenyl)ethyl]butanediamide
CID 61259896
ethyl 2-amino-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]-3-oxopropanoate
CID 104877641
(2R)-2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide
CID 104908821
methyl N-[1-(2-methylphenyl)ethyl]carbamate
CID 112683657
2-amino-N-[1-(2,5-dichlorophenyl)ethyl]-3-methoxypropanamide
CID 120985367
2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide
CID 107472507
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide
CID 62472493

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride (CID 120983404) is 2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride is COCC(N)C(=O)NC(C)c1ccccc1C.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride?
The InChIKey is BSLQCGPJUSICKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-9-6-4-5-7-11(9)10(2)15-13(16)12(14)8-17-3;/h4-7,10,12H,8,14H2,1-3H3,(H,15,16);1H.
What are the key properties of 2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 120983404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).