4-(cyclopentanecarbonylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide

C19H34N2O3 — CID 111596363

IUPAC4-(cyclopentanecarbonylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C19H34N2O3/c1-4-21(13-19(2,3)24)18(23)15-9-11-16(12-10-15)20-17(22)14-7-5-6-8-14/h14-16,24H,4-13H2,1-3H3,(H,20,22)
InChIKeyZOASBBJCXJJKTO-UHFFFAOYSA-N
MW338.49 g/mol
LogP2.47
Rot. Bonds6

About 4-(cyclopentanecarbonylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide

4-(cyclopentanecarbonylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide (PubChem CID 111596363) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is 4-(cyclopentanecarbonylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopentanecarbonylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
PubChem CID111596363
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Name4-(cyclopentanecarbonylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C19H34N2O3/c1-4-21(13-19(2,3)24)18(23)15-9-11-16(12-10-15)20-17(22)14-7-5-6-8-14/h14-16,24H,4-13H2,1-3H3,(H,20,22)
InChIKeyZOASBBJCXJJKTO-UHFFFAOYSA-N
XLogP2.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 79386772
N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohex-3-ene-1-carboxamide
CID 71983310
N-ethyl-N-(2-hydroxy-2-methylpropyl)azetidine-3-carboxamide
CID 79379562
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-(1-amino-2-methylpropan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
CID 119524077
N-ethyl-N-(2-hydroxy-2-methylpropyl)thiolane-3-carboxamide
CID 79387282
1-N-(1,1-dioxothiolan-3-yl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149217
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 111596383
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentanecarbonylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(cyclopentanecarbonylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide (CID 111596363) is 4-(cyclopentanecarbonylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(cyclopentanecarbonylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(cyclopentanecarbonylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide is CCN(CC(C)(C)O)C(=O)C1CCC(NC(=O)C2CCCC2)CC1.
What is the InChIKey of 4-(cyclopentanecarbonylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide?
The InChIKey is ZOASBBJCXJJKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-4-21(13-19(2,3)24)18(23)15-9-11-16(12-10-15)20-17(22)14-7-5-6-8-14/h14-16,24H,4-13H2,1-3H3,(H,20,22).
What are the key properties of 4-(cyclopentanecarbonylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide?
4-(cyclopentanecarbonylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide has a molecular weight of 338.49 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentanecarbonylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 111596363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).