4-tert-butyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide

C17H31NO2 — CID 43389301

IUPAC4-tert-butyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)NC2CCC(O)CC2)CC1
InChIInChI=1S/C17H31NO2/c1-17(2,3)13-6-4-12(5-7-13)16(20)18-14-8-10-15(19)11-9-14/h12-15,19H,4-11H2,1-3H3,(H,18,20)
InChIKeyHMPGUDRWALDNPG-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.26
Rot. Bonds2

About 4-tert-butyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide

4-tert-butyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide (PubChem CID 43389301) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide
PubChem CID43389301
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name4-tert-butyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)NC2CCC(O)CC2)CC1
InChIInChI=1S/C17H31NO2/c1-17(2,3)13-6-4-12(5-7-13)16(20)18-14-8-10-15(19)11-9-14/h12-15,19H,4-11H2,1-3H3,(H,18,20)
InChIKeyHMPGUDRWALDNPG-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclohexane-1-carboxamide
CID 70968787
N-(4-tert-butylcyclohexyl)piperidine-3-carboxamide
CID 140506457
4-tert-butyl-N-piperidin-3-ylcyclohexane-1-carboxamide
CID 62718225
4-tert-butyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 106995414
4-tert-butyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide
CID 55517058
4-tert-butylcyclohexan-1-ol;methane
CID 159612628
1-(cyclopropanecarbonyl)-N-(4-hydroxycyclohexyl)piperidine-4-carboxamide
CID 43389164
methyl N-(4-tert-butylcyclohexyl)carbamate
CID 58394494
methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
CID 115617179
N-cyclopropyl-3-(trifluoromethyl)cyclopentane-1-carboxamide
CID 126783084
4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)cyclohexane-1-carboxamide
CID 115968764
N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide
CID 75407298

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide (CID 43389301) is 4-tert-butyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide is CC(C)(C)C1CCC(C(=O)NC2CCC(O)CC2)CC1.
What is the InChIKey of 4-tert-butyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide?
The InChIKey is HMPGUDRWALDNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-17(2,3)13-6-4-12(5-7-13)16(20)18-14-8-10-15(19)11-9-14/h12-15,19H,4-11H2,1-3H3,(H,18,20).
What are the key properties of 4-tert-butyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide?
4-tert-butyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 43389301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).