N-(1-amino-2-methylpropan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide

C17H31N3O2 — CID 119524077

IUPACN-(1-amino-2-methylpropan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
SMILESCC(C)(CN)NC(=O)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-17(2,11-18)20-16(22)13-7-9-14(10-8-13)19-15(21)12-5-3-4-6-12/h12-14H,3-11,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyIEDIHHXABCBTNQ-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.71
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide

N-(1-amino-2-methylpropan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide (PubChem CID 119524077) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
PubChem CID119524077
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
SMILESCC(C)(CN)NC(=O)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-17(2,11-18)20-16(22)13-7-9-14(10-8-13)19-15(21)12-5-3-4-6-12/h12-14H,3-11,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyIEDIHHXABCBTNQ-UHFFFAOYSA-N
XLogP1.71
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
CID 119608044
N-(1-amino-2-methylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119524078
3-N-(1-amino-2-methylpropan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide
CID 119521732
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide
CID 119574951
N-(1-amino-2-methylpropan-2-yl)azetidine-3-carboxamide
CID 130616999
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cyclopentylcyclobutanecarboxamide
CID 21158774
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide
CID 64551753

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide (CID 119524077) is N-(1-amino-2-methylpropan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide is CC(C)(CN)NC(=O)C1CCC(NC(=O)C2CCCC2)CC1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide?
The InChIKey is IEDIHHXABCBTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-17(2,11-18)20-16(22)13-7-9-14(10-8-13)19-15(21)12-5-3-4-6-12/h12-14H,3-11,18H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide?
N-(1-amino-2-methylpropan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 1.71, 5 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-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 119524077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).