2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride

C19H24ClN3O2 — CID 119714085

IUPAC2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride
SMILESCCNC(=O)c1ccccc1NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-3-21-19(24)15-11-7-8-12-16(15)22-18(23)13(2)17(20)14-9-5-4-6-10-14;/h4-13,17H,3,20H2,1-2H3,(H,21,24)(H,22,23);1H
InChIKeyXHHKMXKSBVTIOB-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.13
Rot. Bonds6

About 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride

2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride (PubChem CID 119714085) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride
PubChem CID119714085
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride
SMILESCCNC(=O)c1ccccc1NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-3-21-19(24)15-11-7-8-12-16(15)22-18(23)13(2)17(20)14-9-5-4-6-10-14;/h4-13,17H,3,20H2,1-2H3,(H,21,24)(H,22,23);1H
InChIKeyXHHKMXKSBVTIOB-UHFFFAOYSA-N
XLogP3.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-chloro-N-ethylbenzamide
CID 119770119
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide
CID 119707303
3-amino-2-methyl-3-phenyl-N-(2-propylphenyl)propanamide
CID 119705368
3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
CID 80546722
2-[(2,2-diphenylacetyl)amino]-N-(2-methylpropyl)benzamide
CID 1369721
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride
CID 119747993
2-[[2-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 4949321
N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690
3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546370
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
methyl 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-methoxybenzoate;hydrochloride
CID 119752196

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride?
The IUPAC name of 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride (CID 119714085) is 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride.
What is the SMILES notation for 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride?
The canonical SMILES for 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride is CCNC(=O)c1ccccc1NC(=O)C(C)C(N)c1ccccc1.Cl.
What is the InChIKey of 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride?
The InChIKey is XHHKMXKSBVTIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c1-3-21-19(24)15-11-7-8-12-16(15)22-18(23)13(2)17(20)14-9-5-4-6-10-14;/h4-13,17H,3,20H2,1-2H3,(H,21,24)(H,22,23);1H.
What are the key properties of 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride?
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride is sourced from PubChem (CID 119714085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).