2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethyl-3-phenylpropanamide;hydrochloride

C20H26ClN3O2 — CID 120610630

IUPAC2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethyl-3-phenylpropanamide;hydrochloride
SMILESCN(C)C(=O)C(Cc1ccccc1)NC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-23(2)20(25)18(14-15-8-4-3-5-9-15)22-19(24)13-12-16-10-6-7-11-17(16)21;/h3-11,18H,12-14,21H2,1-2H3,(H,22,24);1H
InChIKeyYYORRJJHZIJIQP-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.44
Rot. Bonds7

About 2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethyl-3-phenylpropanamide;hydrochloride

2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethyl-3-phenylpropanamide;hydrochloride (PubChem CID 120610630) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethyl-3-phenylpropanamide;hydrochloride
PubChem CID120610630
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethyl-3-phenylpropanamide;hydrochloride
SMILESCN(C)C(=O)C(Cc1ccccc1)NC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-23(2)20(25)18(14-15-8-4-3-5-9-15)22-19(24)13-12-16-10-6-7-11-17(16)21;/h3-11,18H,12-14,21H2,1-2H3,(H,22,24);1H
InChIKeyYYORRJJHZIJIQP-UHFFFAOYSA-N
XLogP2.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide
CID 61466661
3-(2-aminophenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)propanamide
CID 120610126
(2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide
CID 95617732
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide
CID 119780816
(2R)-2-[3-(2-aminophenyl)propanoylamino]-4-methylpentanoic acid
CID 107273040
methyl 2-[3-(2-aminophenyl)propanoylamino]-4-methylpentanoate;hydrochloride
CID 120609137
3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride
CID 120609030
3-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide
CID 120611344
4-(aminomethyl)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 14837094
methyl 2-[3-(2-aminophenyl)propanoylamino]propanoate
CID 107273028
2-[3-(2-aminophenyl)propanoylamino]-3-methylbutanamide
CID 107329581
3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 107273207

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethyl-3-phenylpropanamide;hydrochloride (CID 120610630) is 2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethyl-3-phenylpropanamide;hydrochloride is CN(C)C(=O)C(Cc1ccccc1)NC(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethyl-3-phenylpropanamide;hydrochloride?
The InChIKey is YYORRJJHZIJIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-23(2)20(25)18(14-15-8-4-3-5-9-15)22-19(24)13-12-16-10-6-7-11-17(16)21;/h3-11,18H,12-14,21H2,1-2H3,(H,22,24);1H.
What are the key properties of 2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethyl-3-phenylpropanamide;hydrochloride?
2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethyl-3-phenylpropanamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120610630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).