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

C24H45NO4 — CID 138454226

IUPAC3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]icosanamide
SMILESCCCCCCCCCCCCCCCCCC(O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C24H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(26)20-23(27)25-22-18-19-29-24(22)28/h21-22,26H,2-20H2,1H3,(H,25,27)/t21?,22-/m0/s1
InChIKeyKERIGWGQSDLUFJ-KEKNWZKVSA-N
MW411.63 g/mol
LogP5.43
Rot. Bonds19

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

3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]icosanamide (PubChem CID 138454226) has the molecular formula C24H45NO4 and a molecular weight of 411.63 g/mol. Its IUPAC name is 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]icosanamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]icosanamide
PubChem CID138454226
Molecular FormulaC24H45NO4
Molecular Weight411.63 g/mol
Exact Mass411.33
IUPAC Name3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]icosanamide
SMILESCCCCCCCCCCCCCCCCCC(O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C24H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(26)20-23(27)25-22-18-19-29-24(22)28/h21-22,26H,2-20H2,1H3,(H,25,27)/t21?,22-/m0/s1
InChIKeyKERIGWGQSDLUFJ-KEKNWZKVSA-N
XLogP5.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.63
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]icosanamide?
The IUPAC name of 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]icosanamide (CID 138454226) is 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]icosanamide.
What is the SMILES notation for 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]icosanamide?
The canonical SMILES for 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]icosanamide is CCCCCCCCCCCCCCCCCC(O)CC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]icosanamide?
The InChIKey is KERIGWGQSDLUFJ-KEKNWZKVSA-N. The full InChI is InChI=1S/C24H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(26)20-23(27)25-22-18-19-29-24(22)28/h21-22,26H,2-20H2,1H3,(H,25,27)/t21?,22-/m0/s1.
What are the key properties of 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]icosanamide?
3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]icosanamide has a molecular weight of 411.63 g/mol, XLogP of 5.43, 19 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]icosanamide is sourced from PubChem (CID 138454226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).