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

C19H22ClN3O2 — CID 119276041

IUPAC4-[(2-amino-3-phenylpropanoyl)amino]-N-cyclopropylbenzamide;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C19H21N3O2.ClH/c20-17(12-13-4-2-1-3-5-13)19(24)22-15-8-6-14(7-9-15)18(23)21-16-10-11-16;/h1-9,16-17H,10-12,20H2,(H,21,23)(H,22,24);1H
InChIKeyWLDJSBYCYLOOLJ-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.51
Rot. Bonds6

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

4-[(2-amino-3-phenylpropanoyl)amino]-N-cyclopropylbenzamide;hydrochloride (PubChem CID 119276041) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 4-[(2-amino-3-phenylpropanoyl)amino]-N-cyclopropylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(2-amino-3-phenylpropanoyl)amino]-N-cyclopropylbenzamide;hydrochloride
PubChem CID119276041
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name4-[(2-amino-3-phenylpropanoyl)amino]-N-cyclopropylbenzamide;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C19H21N3O2.ClH/c20-17(12-13-4-2-1-3-5-13)19(24)22-15-8-6-14(7-9-15)18(23)21-16-10-11-16;/h1-9,16-17H,10-12,20H2,(H,21,23)(H,22,24);1H
InChIKeyWLDJSBYCYLOOLJ-UHFFFAOYSA-N
XLogP2.51
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoic acid;hydrochloride
CID 175395798
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
CID 14837118
4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid
CID 22161473
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide
CID 14837119
N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 119276864
N-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119275880
4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride
CID 119865080
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119319374
(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide
CID 22691217
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
CID 28976654
4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
CID 119827831

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-phenylpropanoyl)amino]-N-cyclopropylbenzamide;hydrochloride?
The IUPAC name of 4-[(2-amino-3-phenylpropanoyl)amino]-N-cyclopropylbenzamide;hydrochloride (CID 119276041) is 4-[(2-amino-3-phenylpropanoyl)amino]-N-cyclopropylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(2-amino-3-phenylpropanoyl)amino]-N-cyclopropylbenzamide;hydrochloride?
The canonical SMILES for 4-[(2-amino-3-phenylpropanoyl)amino]-N-cyclopropylbenzamide;hydrochloride is Cl.NC(Cc1ccccc1)C(=O)Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of 4-[(2-amino-3-phenylpropanoyl)amino]-N-cyclopropylbenzamide;hydrochloride?
The InChIKey is WLDJSBYCYLOOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2.ClH/c20-17(12-13-4-2-1-3-5-13)19(24)22-15-8-6-14(7-9-15)18(23)21-16-10-11-16;/h1-9,16-17H,10-12,20H2,(H,21,23)(H,22,24);1H.
What are the key properties of 4-[(2-amino-3-phenylpropanoyl)amino]-N-cyclopropylbenzamide;hydrochloride?
4-[(2-amino-3-phenylpropanoyl)amino]-N-cyclopropylbenzamide;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-phenylpropanoyl)amino]-N-cyclopropylbenzamide;hydrochloride is sourced from PubChem (CID 119276041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).