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

C21H26ClN3O2 — CID 119949582

IUPAC4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclopentylbenzamide;hydrochloride
SMILESCl.NC(CC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H25N3O2.ClH/c22-19(15-6-2-1-3-7-15)14-20(25)23-18-12-10-16(11-13-18)21(26)24-17-8-4-5-9-17;/h1-3,6-7,10-13,17,19H,4-5,8-9,14,22H2,(H,23,25)(H,24,26);1H
InChIKeyGYLCJSTWRPRQNO-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.81
Rot. Bonds6

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

4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclopentylbenzamide;hydrochloride (PubChem CID 119949582) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclopentylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclopentylbenzamide;hydrochloride
PubChem CID119949582
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclopentylbenzamide;hydrochloride
SMILESCl.NC(CC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H25N3O2.ClH/c22-19(15-6-2-1-3-7-15)14-20(25)23-18-12-10-16(11-13-18)21(26)24-17-8-4-5-9-17;/h1-3,6-7,10-13,17,19H,4-5,8-9,14,22H2,(H,23,25)(H,24,26);1H
InChIKeyGYLCJSTWRPRQNO-UHFFFAOYSA-N
XLogP3.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119950414
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CID 119950298
4-benzamido-N-cyclopentylbenzamide
CID 1262350
4-[(3-amino-3-phenylpropanoyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119953883
4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide
CID 16640624
4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67538066
3-amino-N-(4-anilinophenyl)-3-phenylpropanamide
CID 57278352
3-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-phenylpropanamide
CID 119951561
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide
CID 43878588
3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]-3-phenylpropanamide
CID 119949559
4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119948922

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclopentylbenzamide;hydrochloride?
The IUPAC name of 4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclopentylbenzamide;hydrochloride (CID 119949582) is 4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclopentylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclopentylbenzamide;hydrochloride?
The canonical SMILES for 4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclopentylbenzamide;hydrochloride is Cl.NC(CC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccccc1.
What is the InChIKey of 4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclopentylbenzamide;hydrochloride?
The InChIKey is GYLCJSTWRPRQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c22-19(15-6-2-1-3-7-15)14-20(25)23-18-12-10-16(11-13-18)21(26)24-17-8-4-5-9-17;/h1-3,6-7,10-13,17,19H,4-5,8-9,14,22H2,(H,23,25)(H,24,26);1H.
What are the key properties of 4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclopentylbenzamide;hydrochloride?
4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclopentylbenzamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclopentylbenzamide;hydrochloride is sourced from PubChem (CID 119949582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).