4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride

C20H26ClN3O2 — CID 119684154

IUPAC4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C(CN)c2ccccc2)cc1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-3-23(4-2)20(25)16-10-12-17(13-11-16)22-19(24)18(14-21)15-8-6-5-7-9-15;/h5-13,18H,3-4,14,21H2,1-2H3,(H,22,24);1H
InChIKeyDABFCBJWDOWBHV-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.27
Rot. Bonds7

About 4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride

4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride (PubChem CID 119684154) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
PubChem CID119684154
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C(CN)c2ccccc2)cc1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-3-23(4-2)20(25)16-10-12-17(13-11-16)22-19(24)18(14-21)15-8-6-5-7-9-15;/h5-13,18H,3-4,14,21H2,1-2H3,(H,22,24);1H
InChIKeyDABFCBJWDOWBHV-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-3-amino-2-phenylpropanamide
CID 62877329
4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119948922
4-[(3-amino-2-phenylpropanoyl)amino]-N-tert-butylbenzamide;hydrochloride
CID 119703080
N,N-diethyl-4-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide
CID 42905382
4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide
CID 79023506
4-[(2-aminoacetyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119268389
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-diethylbenzamide;hydrochloride
CID 119684182
4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride
CID 119268408
4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
CID 80542029
N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide
CID 8503969
2-amino-N-[4-(diethylcarbamoyl)phenyl]butanediamide;hydrochloride
CID 119955979
N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700127

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride?
The IUPAC name of 4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride (CID 119684154) is 4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride?
The canonical SMILES for 4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride is CCN(CC)C(=O)c1ccc(NC(=O)C(CN)c2ccccc2)cc1.Cl.
What is the InChIKey of 4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride?
The InChIKey is DABFCBJWDOWBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-3-23(4-2)20(25)16-10-12-17(13-11-16)22-19(24)18(14-21)15-8-6-5-7-9-15;/h5-13,18H,3-4,14,21H2,1-2H3,(H,22,24);1H.
What are the key properties of 4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride?
4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride is sourced from PubChem (CID 119684154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).