N-(4-hydroxy-2-methylbutan-2-yl)-3,5,5-trimethylhexanamide

C14H29NO2 — CID 115968914

IUPACN-(4-hydroxy-2-methylbutan-2-yl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NC(C)(C)CCO)CC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-11(10-13(2,3)4)9-12(17)15-14(5,6)7-8-16/h11,16H,7-10H2,1-6H3,(H,15,17)
InChIKeyBOMNAMUJFCHSBA-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.73
Rot. Bonds6

About N-(4-hydroxy-2-methylbutan-2-yl)-3,5,5-trimethylhexanamide

N-(4-hydroxy-2-methylbutan-2-yl)-3,5,5-trimethylhexanamide (PubChem CID 115968914) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutan-2-yl)-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutan-2-yl)-3,5,5-trimethylhexanamide
PubChem CID115968914
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-(4-hydroxy-2-methylbutan-2-yl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NC(C)(C)CCO)CC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-11(10-13(2,3)4)9-12(17)15-14(5,6)7-8-16/h11,16H,7-10H2,1-6H3,(H,15,17)
InChIKeyBOMNAMUJFCHSBA-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylhexanamide
CID 43500958
N-(4-hydroxy-2-methylbutan-2-yl)-3-methylpentanamide
CID 114875470
N-(4-hydroxy-2-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 58875139
3,5,5-trimethylhexanehydrazide
CID 142619235
N-(4-hydroxybutyl)-3,5,5-trimethylhexanamide
CID 106843836
2-acetamido-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115968810
N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide
CID 115303265
3,5,5-trimethyl-N-(3-oxobutan-2-yl)hexanamide
CID 64997307
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3,5,5-trimethylhexanamide
CID 61120416
2-(3,5,5-trimethylhexanoylamino)oxyacetic acid
CID 63912304
N-(azetidin-3-yl)-3,5,5-trimethylhexanamide
CID 66186755
N-(2-chloroethyl)-3,5,5-trimethylhexanamide
CID 61286860

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-3,5,5-trimethylhexanamide?
The IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-3,5,5-trimethylhexanamide (CID 115968914) is N-(4-hydroxy-2-methylbutan-2-yl)-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutan-2-yl)-3,5,5-trimethylhexanamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutan-2-yl)-3,5,5-trimethylhexanamide is CC(CC(=O)NC(C)(C)CCO)CC(C)(C)C.
What is the InChIKey of N-(4-hydroxy-2-methylbutan-2-yl)-3,5,5-trimethylhexanamide?
The InChIKey is BOMNAMUJFCHSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-11(10-13(2,3)4)9-12(17)15-14(5,6)7-8-16/h11,16H,7-10H2,1-6H3,(H,15,17).
What are the key properties of N-(4-hydroxy-2-methylbutan-2-yl)-3,5,5-trimethylhexanamide?
N-(4-hydroxy-2-methylbutan-2-yl)-3,5,5-trimethylhexanamide has a molecular weight of 243.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutan-2-yl)-3,5,5-trimethylhexanamide is sourced from PubChem (CID 115968914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).