N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide

C9H19NO2 — CID 79291595

IUPACN-(2-hydroxy-2-methylpropyl)-N-methylbutanamide
SMILESCCCC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C9H19NO2/c1-5-6-8(11)10(4)7-9(2,3)12/h12H,5-7H2,1-4H3
InChIKeyDUYZJMCSMNAGER-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.02
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide

N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide (PubChem CID 79291595) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methylbutanamide
PubChem CID79291595
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methylbutanamide
SMILESCCCC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C9H19NO2/c1-5-6-8(11)10(4)7-9(2,3)12/h12H,5-7H2,1-4H3
InChIKeyDUYZJMCSMNAGER-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide (CID 79291595) is N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide is CCCC(=O)N(C)CC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide?
The InChIKey is DUYZJMCSMNAGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-6-8(11)10(4)7-9(2,3)12/h12H,5-7H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide?
N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide has a molecular weight of 173.26 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide is sourced from PubChem (CID 79291595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).