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

C18H34ClN3O2 — CID 119524078

IUPACN-(1-amino-2-methylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)(CN)NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1.Cl
InChIInChI=1S/C18H33N3O2.ClH/c1-18(2,12-19)21-17(23)14-7-9-15(10-8-14)20-16(22)11-13-5-3-4-6-13;/h13-15H,3-12,19H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyFTUNNYNVCZPYPY-UHFFFAOYSA-N
MW359.94 g/mol
LogP2.52
Rot. Bonds6

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

N-(1-amino-2-methylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119524078) has the molecular formula C18H34ClN3O2 and a molecular weight of 359.94 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119524078
Molecular FormulaC18H34ClN3O2
Molecular Weight359.94 g/mol
Exact Mass359.23
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)(CN)NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1.Cl
InChIInChI=1S/C18H33N3O2.ClH/c1-18(2,12-19)21-17(23)14-7-9-15(10-8-14)20-16(22)11-13-5-3-4-6-13;/h13-15H,3-12,19H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyFTUNNYNVCZPYPY-UHFFFAOYSA-N
XLogP2.52
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.94
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide
CID 119574951
N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119599561
N-(1-amino-2-methylpropan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
CID 119524077
N-[2-(aminomethyl)cyclohexyl]-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119610772
4-[(2-cyclohexylacetyl)amino]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide
CID 119502006
N-(1-amino-2-methylpropan-2-yl)-3-cyclopentylpropanamide;hydrochloride
CID 119260499
(2S)-2-[[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 119361412
(2S)-2-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 119360995
2-cyclobutyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 103162228
N-(1-amino-2-methylpropan-2-yl)-3-cyclohexylpropanamide;hydrochloride
CID 119524224
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
CID 119608044
3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66031106

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride (CID 119524078) is N-(1-amino-2-methylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride is CC(C)(CN)NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is FTUNNYNVCZPYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2.ClH/c1-18(2,12-19)21-17(23)14-7-9-15(10-8-14)20-16(22)11-13-5-3-4-6-13;/h13-15H,3-12,19H2,1-2H3,(H,20,22)(H,21,23);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 359.94 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119524078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).