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

C20H26ClN3O2 — CID 119948922

IUPAC4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CC(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-3-23(4-2)20(25)16-10-12-17(13-11-16)22-19(24)14-18(21)15-8-6-5-7-9-15;/h5-13,18H,3-4,14,21H2,1-2H3,(H,22,24);1H
InChIKeyIGBFCRLCQMASKX-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.62
Rot. Bonds7

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

4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride (PubChem CID 119948922) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
PubChem CID119948922
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CC(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-3-23(4-2)20(25)16-10-12-17(13-11-16)22-19(24)14-18(21)15-8-6-5-7-9-15;/h5-13,18H,3-4,14,21H2,1-2H3,(H,22,24);1H
InChIKeyIGBFCRLCQMASKX-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide
CID 119950298
4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119950414
4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119684154
3-amino-N-(4-anilinophenyl)-3-phenylpropanamide
CID 57278352
4-[(2-aminoacetyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119268389
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7773176
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132583
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide
CID 119949748
2-amino-N-[4-(diethylcarbamoyl)phenyl]butanediamide;hydrochloride
CID 119955979
N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 7965030
3-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
CID 119950653
4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclopentylbenzamide;hydrochloride
CID 119949582

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride?
The IUPAC name of 4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride (CID 119948922) is 4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride?
The canonical SMILES for 4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride is CCN(CC)C(=O)c1ccc(NC(=O)CC(N)c2ccccc2)cc1.Cl.
What is the InChIKey of 4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride?
The InChIKey is IGBFCRLCQMASKX-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)14-18(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-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride?
4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride is sourced from PubChem (CID 119948922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).