N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride

C21H40ClN3O2 — CID 119599561

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1.Cl
InChIInChI=1S/C21H39N3O2.ClH/c1-15(2)13-21(3,14-22)24-20(26)17-8-10-18(11-9-17)23-19(25)12-16-6-4-5-7-16;/h15-18H,4-14,22H2,1-3H3,(H,23,25)(H,24,26);1H
InChIKeyULQCQKJHRCAYOB-UHFFFAOYSA-N
MW402.02 g/mol
LogP3.54
Rot. Bonds8

About N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119599561) has the molecular formula C21H40ClN3O2 and a molecular weight of 402.02 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119599561
Molecular FormulaC21H40ClN3O2
Molecular Weight402.02 g/mol
Exact Mass401.28
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1.Cl
InChIInChI=1S/C21H39N3O2.ClH/c1-15(2)13-21(3,14-22)24-20(26)17-8-10-18(11-9-17)23-19(25)12-16-6-4-5-7-16;/h15-18H,4-14,22H2,1-3H3,(H,23,25)(H,24,26);1H
InChIKeyULQCQKJHRCAYOB-UHFFFAOYSA-N
XLogP3.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.02
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119524078
N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide
CID 119574951
N-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride
CID 119599741
N-(1-amino-2,4-dimethylpentan-2-yl)-2-cyclobutylacetamide
CID 103807183
(2S)-2-[[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 119361412
3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide
CID 119597716
(2S)-2-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 119360995
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(thian-4-yl)acetamide
CID 83138084
N-[2-(aminomethyl)cyclohexyl]-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119610772
N-(1-amino-2,4-dimethylpentan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81486220
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
CID 119608044
N-(1-amino-2-methylpropan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
CID 119524077

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride (CID 119599561) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is ULQCQKJHRCAYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O2.ClH/c1-15(2)13-21(3,14-22)24-20(26)17-8-10-18(11-9-17)23-19(25)12-16-6-4-5-7-16;/h15-18H,4-14,22H2,1-3H3,(H,23,25)(H,24,26);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 402.02 g/mol, XLogP of 3.54, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119599561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).