3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]dodecanamide

C16H29NO4 — CID 10891902

IUPAC3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
SMILESCCCCCCCCCC(O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C16H29NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h13-14,18H,2-12H2,1H3,(H,17,19)/t13?,14-/m0/s1
InChIKeyRGTXFFYJJNWEPV-KZUDCZAMSA-N
MW299.41 g/mol
LogP2.31
Rot. Bonds11

About 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]dodecanamide

3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]dodecanamide (PubChem CID 10891902) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]dodecanamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
PubChem CID10891902
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
SMILESCCCCCCCCCC(O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C16H29NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h13-14,18H,2-12H2,1H3,(H,17,19)/t13?,14-/m0/s1
InChIKeyRGTXFFYJJNWEPV-KZUDCZAMSA-N
XLogP2.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]dodecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]dodecanamide?
The IUPAC name of 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]dodecanamide (CID 10891902) is 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]dodecanamide.
What is the SMILES notation for 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]dodecanamide?
The canonical SMILES for 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]dodecanamide is CCCCCCCCCC(O)CC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]dodecanamide?
The InChIKey is RGTXFFYJJNWEPV-KZUDCZAMSA-N. The full InChI is InChI=1S/C16H29NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h13-14,18H,2-12H2,1H3,(H,17,19)/t13?,14-/m0/s1.
What are the key properties of 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]dodecanamide?
3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]dodecanamide has a molecular weight of 299.41 g/mol, XLogP of 2.31, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]dodecanamide is sourced from PubChem (CID 10891902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).