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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Related Compounds

N-(4-hydroxy-2-methylbutan-2-yl)cyclobutanecarboxamide
CID 115869890
3-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551222
N-(4-hydroxy-2-methylbutan-2-yl)oxolane-3-carboxamide
CID 115869901
N-(4-hydroxy-2-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 115870127
N-(1-bromo-3-methylpentan-3-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 106169068
N-(4-hydroxy-2-methylbutan-2-yl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103944810
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 62718713
cis-(1R,2S)-2-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114092992
(2R,5S)-5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945735
N-(1-methoxy-2-methylpropan-2-yl)cyclopropanecarboxamide
CID 115606636
N-(2-methyl-1-methylsulfanylpropan-2-yl)cyclopropanecarboxamide
CID 167004925
4-tert-butyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide
CID 43389301

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).