3-[acetyl(benzyl)amino]-N-(2-amino-5-methoxyphenyl)propanamide;hydrochloride

C19H24ClN3O3 — CID 119420682

IUPAC3-[acetyl(benzyl)amino]-N-(2-amino-5-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)CCN(Cc2ccccc2)C(C)=O)c1.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-14(23)22(13-15-6-4-3-5-7-15)11-10-19(24)21-18-12-16(25-2)8-9-17(18)20;/h3-9,12H,10-11,13,20H2,1-2H3,(H,21,24);1H
InChIKeyNRQAISAECCDWGP-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.08
Rot. Bonds7

About 3-[acetyl(benzyl)amino]-N-(2-amino-5-methoxyphenyl)propanamide;hydrochloride

3-[acetyl(benzyl)amino]-N-(2-amino-5-methoxyphenyl)propanamide;hydrochloride (PubChem CID 119420682) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 3-[acetyl(benzyl)amino]-N-(2-amino-5-methoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[acetyl(benzyl)amino]-N-(2-amino-5-methoxyphenyl)propanamide;hydrochloride
PubChem CID119420682
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name3-[acetyl(benzyl)amino]-N-(2-amino-5-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)CCN(Cc2ccccc2)C(C)=O)c1.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-14(23)22(13-15-6-4-3-5-7-15)11-10-19(24)21-18-12-16(25-2)8-9-17(18)20;/h3-9,12H,10-11,13,20H2,1-2H3,(H,21,24);1H
InChIKeyNRQAISAECCDWGP-UHFFFAOYSA-N
XLogP3.08
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide
CID 113119822
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 113120669
2-[4-[3-[acetyl(benzyl)amino]propanoylamino]-3-methylphenoxy]acetic acid
CID 119231417
ethyl 2-[3-[acetyl(benzyl)amino]propanoylamino]benzoate
CID 113118359
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119947
3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113118316
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethylphenyl)propanamide
CID 113119942
N-(2-amino-5-methoxyphenyl)-2-(3-hydroxyphenyl)acetamide
CID 63257743
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
CID 113119958
3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 4284031
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113120467
N-(2-amino-5-methoxyphenyl)-2-(3-bromophenyl)acetamide
CID 63257871

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(benzyl)amino]-N-(2-amino-5-methoxyphenyl)propanamide;hydrochloride?
The IUPAC name of 3-[acetyl(benzyl)amino]-N-(2-amino-5-methoxyphenyl)propanamide;hydrochloride (CID 119420682) is 3-[acetyl(benzyl)amino]-N-(2-amino-5-methoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[acetyl(benzyl)amino]-N-(2-amino-5-methoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-[acetyl(benzyl)amino]-N-(2-amino-5-methoxyphenyl)propanamide;hydrochloride is COc1ccc(N)c(NC(=O)CCN(Cc2ccccc2)C(C)=O)c1.Cl.
What is the InChIKey of 3-[acetyl(benzyl)amino]-N-(2-amino-5-methoxyphenyl)propanamide;hydrochloride?
The InChIKey is NRQAISAECCDWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3.ClH/c1-14(23)22(13-15-6-4-3-5-7-15)11-10-19(24)21-18-12-16(25-2)8-9-17(18)20;/h3-9,12H,10-11,13,20H2,1-2H3,(H,21,24);1H.
What are the key properties of 3-[acetyl(benzyl)amino]-N-(2-amino-5-methoxyphenyl)propanamide;hydrochloride?
3-[acetyl(benzyl)amino]-N-(2-amino-5-methoxyphenyl)propanamide;hydrochloride has a molecular weight of 377.87 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(benzyl)amino]-N-(2-amino-5-methoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119420682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).