N-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylhexanamide

C13H27NO2 — CID 43500958

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NC(C)(C)CO)CC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-10(8-12(2,3)4)7-11(16)14-13(5,6)9-15/h10,15H,7-9H2,1-6H3,(H,14,16)
InChIKeyDRCZDHFXHBDGSQ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.34
Rot. Bonds5

About N-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylhexanamide

N-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylhexanamide (PubChem CID 43500958) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylhexanamide
PubChem CID43500958
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NC(C)(C)CO)CC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-10(8-12(2,3)4)7-11(16)14-13(5,6)9-15/h10,15H,7-9H2,1-6H3,(H,14,16)
InChIKeyDRCZDHFXHBDGSQ-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxy-2-methylbutan-2-yl)-3,5,5-trimethylhexanamide
CID 115968914
3,5,5-trimethylhexanehydrazide
CID 142619235
3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 17381763
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
N-(4-hydroxybutyl)-3,5,5-trimethylhexanamide
CID 106843836
N-(2-chloroethyl)-3,5,5-trimethylhexanamide
CID 61286860
N-(4-hydroxy-2-methylbutan-2-yl)-3-methylpentanamide
CID 114875470
CID 5484103
CID 5484103
3-(aminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide
CID 81071031
manganese;3,5,5-trimethylhexanoic acid
CID 170844741

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylhexanamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylhexanamide (CID 43500958) is N-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylhexanamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylhexanamide is CC(CC(=O)NC(C)(C)CO)CC(C)(C)C.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylhexanamide?
The InChIKey is DRCZDHFXHBDGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(8-12(2,3)4)7-11(16)14-13(5,6)9-15/h10,15H,7-9H2,1-6H3,(H,14,16).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylhexanamide?
N-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylhexanamide has a molecular weight of 229.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylhexanamide is sourced from PubChem (CID 43500958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).