4-[(3-amino-2-phenylpropanoyl)amino]-N-tert-butylbenzamide;hydrochloride

C20H26ClN3O2 — CID 119703080

IUPAC4-[(3-amino-2-phenylpropanoyl)amino]-N-tert-butylbenzamide;hydrochloride
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)C(CN)c2ccccc2)cc1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-20(2,3)23-18(24)15-9-11-16(12-10-15)22-19(25)17(13-21)14-7-5-4-6-8-14;/h4-12,17H,13,21H2,1-3H3,(H,22,25)(H,23,24);1H
InChIKeyKKPILXDHQLBKCL-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.32
Rot. Bonds5

About 4-[(3-amino-2-phenylpropanoyl)amino]-N-tert-butylbenzamide;hydrochloride

4-[(3-amino-2-phenylpropanoyl)amino]-N-tert-butylbenzamide;hydrochloride (PubChem CID 119703080) 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-tert-butylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(3-amino-2-phenylpropanoyl)amino]-N-tert-butylbenzamide;hydrochloride
PubChem CID119703080
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name4-[(3-amino-2-phenylpropanoyl)amino]-N-tert-butylbenzamide;hydrochloride
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)C(CN)c2ccccc2)cc1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-20(2,3)23-18(24)15-9-11-16(12-10-15)22-19(25)17(13-21)14-7-5-4-6-8-14;/h4-12,17H,13,21H2,1-3H3,(H,22,25)(H,23,24);1H
InChIKeyKKPILXDHQLBKCL-UHFFFAOYSA-N
XLogP3.32
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-3-amino-2-phenylpropanamide
CID 62877329
4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119684154
N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700127
N-tert-butyl-4-(2-methylbutanoylamino)benzamide
CID 46540195
ditert-butyl 5-[(3-amino-2-phenylpropanoyl)amino]benzene-1,3-dicarboxylate
CID 70283606
2-amino-N-[4-(tert-butylcarbamoyl)phenyl]butanediamide
CID 119956305
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-(2-methylbutan-2-yl)benzamide
CID 119738242
N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide
CID 121063165
N-tert-butyl-4-[2-(methylamino)propanoylamino]benzamide
CID 62639345
2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpropanamide
CID 62877842
N-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride
CID 119607871
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2-phenylpropanamide;hydrochloride
CID 119723753

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-phenylpropanoyl)amino]-N-tert-butylbenzamide;hydrochloride?
The IUPAC name of 4-[(3-amino-2-phenylpropanoyl)amino]-N-tert-butylbenzamide;hydrochloride (CID 119703080) is 4-[(3-amino-2-phenylpropanoyl)amino]-N-tert-butylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(3-amino-2-phenylpropanoyl)amino]-N-tert-butylbenzamide;hydrochloride?
The canonical SMILES for 4-[(3-amino-2-phenylpropanoyl)amino]-N-tert-butylbenzamide;hydrochloride is CC(C)(C)NC(=O)c1ccc(NC(=O)C(CN)c2ccccc2)cc1.Cl.
What is the InChIKey of 4-[(3-amino-2-phenylpropanoyl)amino]-N-tert-butylbenzamide;hydrochloride?
The InChIKey is KKPILXDHQLBKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-20(2,3)23-18(24)15-9-11-16(12-10-15)22-19(25)17(13-21)14-7-5-4-6-8-14;/h4-12,17H,13,21H2,1-3H3,(H,22,25)(H,23,24);1H.
What are the key properties of 4-[(3-amino-2-phenylpropanoyl)amino]-N-tert-butylbenzamide;hydrochloride?
4-[(3-amino-2-phenylpropanoyl)amino]-N-tert-butylbenzamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-phenylpropanoyl)amino]-N-tert-butylbenzamide;hydrochloride is sourced from PubChem (CID 119703080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).