4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)cyclohexane-1-carboxamide

C16H31NO2 — CID 115968764

IUPAC4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)(CCO)NC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H31NO2/c1-15(2,3)13-8-6-12(7-9-13)14(19)17-16(4,5)10-11-18/h12-13,18H,6-11H2,1-5H3,(H,17,19)
InChIKeyPBYMDDGBYJTEGQ-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.12
Rot. Bonds4

About 4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)cyclohexane-1-carboxamide

4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)cyclohexane-1-carboxamide (PubChem CID 115968764) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)cyclohexane-1-carboxamide
PubChem CID115968764
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)(CCO)NC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H31NO2/c1-15(2,3)13-8-6-12(7-9-13)14(19)17-16(4,5)10-11-18/h12-13,18H,6-11H2,1-5H3,(H,17,19)
InChIKeyPBYMDDGBYJTEGQ-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)cyclohexane-1-carboxamide (CID 115968764) is 4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)cyclohexane-1-carboxamide is CC(C)(CCO)NC(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is PBYMDDGBYJTEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-15(2,3)13-8-6-12(7-9-13)14(19)17-16(4,5)10-11-18/h12-13,18H,6-11H2,1-5H3,(H,17,19).
What are the key properties of 4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)cyclohexane-1-carboxamide?
4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 3.12, 4 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-hydroxy-2-methylbutan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115968764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).