4-[(2-amino-3-methylpentanoyl)amino]-N-cyclohexylbenzamide;hydrochloride

C19H30ClN3O2 — CID 119747187

IUPAC4-[(2-amino-3-methylpentanoyl)amino]-N-cyclohexylbenzamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-3-13(2)17(20)19(24)22-16-11-9-14(10-12-16)18(23)21-15-7-5-4-6-8-15;/h9-13,15,17H,3-8,20H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyPZXUDAHERQDQJY-UHFFFAOYSA-N
MW367.92 g/mol
LogP3.48
Rot. Bonds6

About 4-[(2-amino-3-methylpentanoyl)amino]-N-cyclohexylbenzamide;hydrochloride

4-[(2-amino-3-methylpentanoyl)amino]-N-cyclohexylbenzamide;hydrochloride (PubChem CID 119747187) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is 4-[(2-amino-3-methylpentanoyl)amino]-N-cyclohexylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(2-amino-3-methylpentanoyl)amino]-N-cyclohexylbenzamide;hydrochloride
PubChem CID119747187
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC Name4-[(2-amino-3-methylpentanoyl)amino]-N-cyclohexylbenzamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-3-13(2)17(20)19(24)22-16-11-9-14(10-12-16)18(23)21-15-7-5-4-6-8-15;/h9-13,15,17H,3-8,20H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyPZXUDAHERQDQJY-UHFFFAOYSA-N
XLogP3.48
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-amino-3-methylpentanoyl)amino]-N-(oxan-4-yl)benzamide;hydrochloride
CID 119810201
N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide
CID 119747199
4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride
CID 119756450
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide
CID 61174601
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
(2S,3S)-2-amino-N-(4-cyclopentyloxyphenyl)-3-methylpentanamide
CID 61178379
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
4-acetamido-N-cyclooctylbenzamide
CID 2990044
N-[4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252836
methyl 4-[(2-amino-3-methylpentanoyl)amino]benzoate
CID 61258918
1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109044795

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-methylpentanoyl)amino]-N-cyclohexylbenzamide;hydrochloride?
The IUPAC name of 4-[(2-amino-3-methylpentanoyl)amino]-N-cyclohexylbenzamide;hydrochloride (CID 119747187) is 4-[(2-amino-3-methylpentanoyl)amino]-N-cyclohexylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(2-amino-3-methylpentanoyl)amino]-N-cyclohexylbenzamide;hydrochloride?
The canonical SMILES for 4-[(2-amino-3-methylpentanoyl)amino]-N-cyclohexylbenzamide;hydrochloride is CCC(C)C(N)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1.Cl.
What is the InChIKey of 4-[(2-amino-3-methylpentanoyl)amino]-N-cyclohexylbenzamide;hydrochloride?
The InChIKey is PZXUDAHERQDQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-3-13(2)17(20)19(24)22-16-11-9-14(10-12-16)18(23)21-15-7-5-4-6-8-15;/h9-13,15,17H,3-8,20H2,1-2H3,(H,21,23)(H,22,24);1H.
What are the key properties of 4-[(2-amino-3-methylpentanoyl)amino]-N-cyclohexylbenzamide;hydrochloride?
4-[(2-amino-3-methylpentanoyl)amino]-N-cyclohexylbenzamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 3.48, 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-methylpentanoyl)amino]-N-cyclohexylbenzamide;hydrochloride is sourced from PubChem (CID 119747187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).