N-(4-hydroxy-2-methylbutan-2-yl)-2-(oxan-2-yl)acetamide

C12H23NO3 — CID 115968720

IUPACN-(4-hydroxy-2-methylbutan-2-yl)-2-(oxan-2-yl)acetamide
SMILESCC(C)(CCO)NC(=O)CC1CCCCO1
InChIInChI=1S/C12H23NO3/c1-12(2,6-7-14)13-11(15)9-10-5-3-4-8-16-10/h10,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyAATFVDVPAZSTBS-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.22
Rot. Bonds5

About N-(4-hydroxy-2-methylbutan-2-yl)-2-(oxan-2-yl)acetamide

N-(4-hydroxy-2-methylbutan-2-yl)-2-(oxan-2-yl)acetamide (PubChem CID 115968720) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutan-2-yl)-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutan-2-yl)-2-(oxan-2-yl)acetamide
PubChem CID115968720
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-(4-hydroxy-2-methylbutan-2-yl)-2-(oxan-2-yl)acetamide
SMILESCC(C)(CCO)NC(=O)CC1CCCCO1
InChIInChI=1S/C12H23NO3/c1-12(2,6-7-14)13-11(15)9-10-5-3-4-8-16-10/h10,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyAATFVDVPAZSTBS-UHFFFAOYSA-N
XLogP1.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(oxan-2-yl)acetamide;hydrochloride
CID 119521740
N-(5-hydroxy-2,2-dimethylpentyl)-2-(oxan-2-yl)acetamide
CID 103899551
N-(2-methylbutan-2-yl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014424
N-tert-butyl-2-(oxan-2-ylmethylamino)acetamide
CID 60697952
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(oxolan-2-yl)acetamide
CID 107868161
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide
CID 103843667
4,4-dimethyl-1-(oxan-2-yl)pentan-2-one
CID 167643908
N-(4-hydroxy-2-methylbutan-2-yl)cyclobutanecarboxamide
CID 115869890
N-(2-methylbutan-2-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825153
N-(2-amino-2-ethylbutyl)-2-(oxan-2-yl)acetamide
CID 81483834
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
(2R,5S)-5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945735

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-2-(oxan-2-yl)acetamide?
The IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-2-(oxan-2-yl)acetamide (CID 115968720) is N-(4-hydroxy-2-methylbutan-2-yl)-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutan-2-yl)-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutan-2-yl)-2-(oxan-2-yl)acetamide is CC(C)(CCO)NC(=O)CC1CCCCO1.
What is the InChIKey of N-(4-hydroxy-2-methylbutan-2-yl)-2-(oxan-2-yl)acetamide?
The InChIKey is AATFVDVPAZSTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,6-7-14)13-11(15)9-10-5-3-4-8-16-10/h10,14H,3-9H2,1-2H3,(H,13,15).
What are the key properties of N-(4-hydroxy-2-methylbutan-2-yl)-2-(oxan-2-yl)acetamide?
N-(4-hydroxy-2-methylbutan-2-yl)-2-(oxan-2-yl)acetamide has a molecular weight of 229.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutan-2-yl)-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 115968720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).