2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride

C12H19ClN2O2 — CID 119298449

IUPAC2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride
SMILESCCOc1ccc(NC(=O)C(C)N)c(C)c1.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-4-16-10-5-6-11(8(2)7-10)14-12(15)9(3)13;/h5-7,9H,4,13H2,1-3H3,(H,14,15);1H
InChIKeyRNZJJXLWPJIQAD-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.10
Rot. Bonds4

About 2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride

2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride (PubChem CID 119298449) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride
PubChem CID119298449
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride
SMILESCCOc1ccc(NC(=O)C(C)N)c(C)c1.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-4-16-10-5-6-11(8(2)7-10)14-12(15)9(3)13;/h5-7,9H,4,13H2,1-3H3,(H,14,15);1H
InChIKeyRNZJJXLWPJIQAD-UHFFFAOYSA-N
XLogP2.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide
CID 107904117
N-(4-ethoxy-2-methylphenyl)-2-methoxypropanamide
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(2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
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2-amino-N-(4-ethoxy-2-methylphenyl)-5-methoxypentanamide
CID 81082492
N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide
CID 79205094
3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride
CID 119739467
4-amino-N-(2-methyl-4-propoxyphenyl)pentanamide
CID 120560885
2-amino-N-(2-ethoxy-4-fluorophenyl)propanamide;hydrochloride
CID 119286702
3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933888
4-[[(2S)-2-aminopropanoyl]amino]-3-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119300417
1-(4-ethoxy-2-methylphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111453148

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride?
The IUPAC name of 2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride (CID 119298449) is 2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride is CCOc1ccc(NC(=O)C(C)N)c(C)c1.Cl.
What is the InChIKey of 2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride?
The InChIKey is RNZJJXLWPJIQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c1-4-16-10-5-6-11(8(2)7-10)14-12(15)9(3)13;/h5-7,9H,4,13H2,1-3H3,(H,14,15);1H.
What are the key properties of 2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride?
2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119298449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).