3-hydroxy-5-methyl-N-(2-oxooxolan-3-yl)hexanamide

C11H19NO4 — CID 20633768

IUPAC3-hydroxy-5-methyl-N-(2-oxooxolan-3-yl)hexanamide
SMILESCC(C)CC(O)CC(=O)NC1CCOC1=O
InChIInChI=1S/C11H19NO4/c1-7(2)5-8(13)6-10(14)12-9-3-4-16-11(9)15/h7-9,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyNHUOCHXZLZLTCL-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.22
Rot. Bonds5

About 3-hydroxy-5-methyl-N-(2-oxooxolan-3-yl)hexanamide

3-hydroxy-5-methyl-N-(2-oxooxolan-3-yl)hexanamide (PubChem CID 20633768) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-hydroxy-5-methyl-N-(2-oxooxolan-3-yl)hexanamide.

Molecular Properties

Compound Name3-hydroxy-5-methyl-N-(2-oxooxolan-3-yl)hexanamide
PubChem CID20633768
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-hydroxy-5-methyl-N-(2-oxooxolan-3-yl)hexanamide
SMILESCC(C)CC(O)CC(=O)NC1CCOC1=O
InChIInChI=1S/C11H19NO4/c1-7(2)5-8(13)6-10(14)12-9-3-4-16-11(9)15/h7-9,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyNHUOCHXZLZLTCL-UHFFFAOYSA-N
XLogP0.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-oxooxolan-3-yl)pentanamide
CID 59157424
3-hydroxy-N-(2-oxooxolan-3-yl)tridecanamide
CID 11515162
(Z,3S)-3-hydroxy-N-[(3R)-2-oxooxolan-3-yl]tetradec-7-enamide
CID 24882438
2-methyl-N-(2-oxooxolan-3-yl)propanamide
CID 23020667
(Z)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide;(Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide
CID 157320754
3-amino-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
CID 146427195
N-(2-oxooxolan-3-yl)pentanamide
CID 11513883
methane;3-oxo-N-(2-oxooxolan-3-yl)pentanamide
CID 159463313
(E)-N-[(3R)-2-oxooxolan-3-yl]hex-3-enamide
CID 59127522
N-[(3R)-2-oxooxolan-3-yl]tetradecanamide
CID 98125839
N-[(3S)-2-oxooxolan-3-yl]heptadecanamide
CID 68865340
6-oxo-6-[(2-oxooxolan-3-yl)amino]hexanoic acid
CID 65418345

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methyl-N-(2-oxooxolan-3-yl)hexanamide?
The IUPAC name of 3-hydroxy-5-methyl-N-(2-oxooxolan-3-yl)hexanamide (CID 20633768) is 3-hydroxy-5-methyl-N-(2-oxooxolan-3-yl)hexanamide.
What is the SMILES notation for 3-hydroxy-5-methyl-N-(2-oxooxolan-3-yl)hexanamide?
The canonical SMILES for 3-hydroxy-5-methyl-N-(2-oxooxolan-3-yl)hexanamide is CC(C)CC(O)CC(=O)NC1CCOC1=O.
What is the InChIKey of 3-hydroxy-5-methyl-N-(2-oxooxolan-3-yl)hexanamide?
The InChIKey is NHUOCHXZLZLTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7(2)5-8(13)6-10(14)12-9-3-4-16-11(9)15/h7-9,13H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 3-hydroxy-5-methyl-N-(2-oxooxolan-3-yl)hexanamide?
3-hydroxy-5-methyl-N-(2-oxooxolan-3-yl)hexanamide has a molecular weight of 229.28 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methyl-N-(2-oxooxolan-3-yl)hexanamide is sourced from PubChem (CID 20633768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).