N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide

C9H19NO2 — CID 39236458

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC(C)(C)CO
InChIInChI=1S/C9H19NO2/c1-7(2)5-8(12)10-9(3,4)6-11/h7,11H,5-6H2,1-4H3,(H,10,12)
InChIKeyBQXZQPHPEHQBPR-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.92
Rot. Bonds4

About N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide

N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide (PubChem CID 39236458) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide
PubChem CID39236458
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC(C)(C)CO
InChIInChI=1S/C9H19NO2/c1-7(2)5-8(12)10-9(3,4)6-11/h7,11H,5-6H2,1-4H3,(H,10,12)
InChIKeyBQXZQPHPEHQBPR-UHFFFAOYSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide (CID 39236458) is N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide is CC(C)CC(=O)NC(C)(C)CO.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide?
The InChIKey is BQXZQPHPEHQBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)5-8(12)10-9(3,4)6-11/h7,11H,5-6H2,1-4H3,(H,10,12).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide?
N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide has a molecular weight of 173.26 g/mol, XLogP of 0.92, 4 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-methylbutanamide is sourced from PubChem (CID 39236458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).