N-tert-butyl-4-cyclohexyl-N-hydroxycyclohexane-1-carboxamide

C17H31NO2 — CID 14722868

IUPACN-tert-butyl-4-cyclohexyl-N-hydroxycyclohexane-1-carboxamide
SMILESCC(C)(C)N(O)C(=O)C1CCC(C2CCCCC2)CC1
InChIInChI=1S/C17H31NO2/c1-17(2,3)18(20)16(19)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h13-15,20H,4-12H2,1-3H3
InChIKeyRUIPRVUBFNHDEA-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.39
Rot. Bonds2

About N-tert-butyl-4-cyclohexyl-N-hydroxycyclohexane-1-carboxamide

N-tert-butyl-4-cyclohexyl-N-hydroxycyclohexane-1-carboxamide (PubChem CID 14722868) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-tert-butyl-4-cyclohexyl-N-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-cyclohexyl-N-hydroxycyclohexane-1-carboxamide
PubChem CID14722868
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-tert-butyl-4-cyclohexyl-N-hydroxycyclohexane-1-carboxamide
SMILESCC(C)(C)N(O)C(=O)C1CCC(C2CCCCC2)CC1
InChIInChI=1S/C17H31NO2/c1-17(2,3)18(20)16(19)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h13-15,20H,4-12H2,1-3H3
InChIKeyRUIPRVUBFNHDEA-UHFFFAOYSA-N
XLogP4.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 163664676
CID 163664676
CID 135085039
CID 135085039
CID 19835291
CID 19835291

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-cyclohexyl-N-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-tert-butyl-4-cyclohexyl-N-hydroxycyclohexane-1-carboxamide (CID 14722868) is N-tert-butyl-4-cyclohexyl-N-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-cyclohexyl-N-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-cyclohexyl-N-hydroxycyclohexane-1-carboxamide is CC(C)(C)N(O)C(=O)C1CCC(C2CCCCC2)CC1.
What is the InChIKey of N-tert-butyl-4-cyclohexyl-N-hydroxycyclohexane-1-carboxamide?
The InChIKey is RUIPRVUBFNHDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-17(2,3)18(20)16(19)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h13-15,20H,4-12H2,1-3H3.
What are the key properties of N-tert-butyl-4-cyclohexyl-N-hydroxycyclohexane-1-carboxamide?
N-tert-butyl-4-cyclohexyl-N-hydroxycyclohexane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-cyclohexyl-N-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 14722868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).