4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide

C16H31NO2 — CID 115744551

IUPAC4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)C(O)CNC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H31NO2/c1-11(2)14(18)10-17-15(19)12-6-8-13(9-7-12)16(3,4)5/h11-14,18H,6-10H2,1-5H3,(H,17,19)
InChIKeyLZZDSOZUIZBWNB-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.97
Rot. Bonds4

About 4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide

4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide (PubChem CID 115744551) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide
PubChem CID115744551
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)C(O)CNC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H31NO2/c1-11(2)14(18)10-17-15(19)12-6-8-13(9-7-12)16(3,4)5/h11-14,18H,6-10H2,1-5H3,(H,17,19)
InChIKeyLZZDSOZUIZBWNB-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 83030657
4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide
CID 63298695
3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-methylpropanoic acid
CID 62674977
4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide
CID 114302699
methyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate
CID 103958175
N-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide
CID 58124356
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
N-(2-hydroxy-3-methylbutyl)cyclopent-3-ene-1-carboxamide
CID 115701623
N-(2-hydroxy-3-methylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 109478559
4-tert-butyl-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 62400506
N-(2-bromopropyl)cyclopropanecarboxamide
CID 114308592
N-(1-bromo-3-methylbutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 114316175

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide (CID 115744551) is 4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide is CC(C)C(O)CNC(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide?
The InChIKey is LZZDSOZUIZBWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-11(2)14(18)10-17-15(19)12-6-8-13(9-7-12)16(3,4)5/h11-14,18H,6-10H2,1-5H3,(H,17,19).
What are the key properties of 4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide?
4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 2.97, 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-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115744551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).