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

C22H28ClN3O2 — CID 120590090

IUPAC4-[(2-amino-2-phenylpropanoyl)amino]-N-cyclohexylbenzamide;hydrochloride
SMILESCC(N)(C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccccc1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-22(23,17-8-4-2-5-9-17)21(27)25-19-14-12-16(13-15-19)20(26)24-18-10-6-3-7-11-18;/h2,4-5,8-9,12-15,18H,3,6-7,10-11,23H2,1H3,(H,24,26)(H,25,27);1H
InChIKeyOPKHHNWPTQYRBA-UHFFFAOYSA-N
MW401.94 g/mol
LogP3.98
Rot. Bonds5

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

4-[(2-amino-2-phenylpropanoyl)amino]-N-cyclohexylbenzamide;hydrochloride (PubChem CID 120590090) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 4-[(2-amino-2-phenylpropanoyl)amino]-N-cyclohexylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(2-amino-2-phenylpropanoyl)amino]-N-cyclohexylbenzamide;hydrochloride
PubChem CID120590090
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC Name4-[(2-amino-2-phenylpropanoyl)amino]-N-cyclohexylbenzamide;hydrochloride
SMILESCC(N)(C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccccc1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-22(23,17-8-4-2-5-9-17)21(27)25-19-14-12-16(13-15-19)20(26)24-18-10-6-3-7-11-18;/h2,4-5,8-9,12-15,18H,3,6-7,10-11,23H2,1H3,(H,24,26)(H,25,27);1H
InChIKeyOPKHHNWPTQYRBA-UHFFFAOYSA-N
XLogP3.98
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-cycloheptyl-2-phenylpropanamide;hydrochloride
CID 120586523
4-[(2-amino-2-methylpropanoyl)amino]-N-cyclopropylbenzamide
CID 61265004
4-benzamido-N-cyclopentylbenzamide
CID 1262350
2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride
CID 120597102
3-[4-(cyclohexylcarbamoyl)anilino]-2-methoxy-2-methyl-3-oxopropanoic acid
CID 146136092
4-acetamido-N-cyclooctylbenzamide
CID 2990044
N-cyclohexyl-3-(2,2-dimethylpropanoylamino)benzamide
CID 17170559
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627
N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966101
2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-phenylpropanamide;dihydrochloride
CID 120595365

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-phenylpropanoyl)amino]-N-cyclohexylbenzamide;hydrochloride?
The IUPAC name of 4-[(2-amino-2-phenylpropanoyl)amino]-N-cyclohexylbenzamide;hydrochloride (CID 120590090) is 4-[(2-amino-2-phenylpropanoyl)amino]-N-cyclohexylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(2-amino-2-phenylpropanoyl)amino]-N-cyclohexylbenzamide;hydrochloride?
The canonical SMILES for 4-[(2-amino-2-phenylpropanoyl)amino]-N-cyclohexylbenzamide;hydrochloride is CC(N)(C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccccc1.Cl.
What is the InChIKey of 4-[(2-amino-2-phenylpropanoyl)amino]-N-cyclohexylbenzamide;hydrochloride?
The InChIKey is OPKHHNWPTQYRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.ClH/c1-22(23,17-8-4-2-5-9-17)21(27)25-19-14-12-16(13-15-19)20(26)24-18-10-6-3-7-11-18;/h2,4-5,8-9,12-15,18H,3,6-7,10-11,23H2,1H3,(H,24,26)(H,25,27);1H.
What are the key properties of 4-[(2-amino-2-phenylpropanoyl)amino]-N-cyclohexylbenzamide;hydrochloride?
4-[(2-amino-2-phenylpropanoyl)amino]-N-cyclohexylbenzamide;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of 3.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-phenylpropanoyl)amino]-N-cyclohexylbenzamide;hydrochloride is sourced from PubChem (CID 120590090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).