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

C22H41NO4 — CID 138454227

IUPAC3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octadecanamide
SMILESCCCCCCCCCCCCCCCC(O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C22H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(24)18-21(25)23-20-16-17-27-22(20)26/h19-20,24H,2-18H2,1H3,(H,23,25)/t19?,20-/m0/s1
InChIKeyIHJILWQXHBSFMS-ANYOKISRSA-N
MW383.57 g/mol
LogP4.65
Rot. Bonds17

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

3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octadecanamide (PubChem CID 138454227) has the molecular formula C22H41NO4 and a molecular weight of 383.57 g/mol. Its IUPAC name is 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octadecanamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octadecanamide
PubChem CID138454227
Molecular FormulaC22H41NO4
Molecular Weight383.57 g/mol
Exact Mass383.30
IUPAC Name3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octadecanamide
SMILESCCCCCCCCCCCCCCCC(O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C22H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(24)18-21(25)23-20-16-17-27-22(20)26/h19-20,24H,2-18H2,1H3,(H,23,25)/t19?,20-/m0/s1
InChIKeyIHJILWQXHBSFMS-ANYOKISRSA-N
XLogP4.65
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.57
LogP ≤ 54.65
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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Related Compounds

3-Hydroxy-N-((S)-2-oxotetrahydrofuran-3-yl)dodecanamide
CID 10891902
Palmitoyl myristyl serinate
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3-Hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide
CID 10903547
12-hydroxy-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
CID 11823149
Serratamolide
CID 168994
CID 24862329
CID 24862329
CID 24862330
CID 24862330
CID 24862374
CID 24862374
CID 24862375
CID 24862375
Commendamide
CID 10711444
3-Hydroxy-N-[(3S)-2-oxooxolan-3-yl]decanamide
CID 71353010
Ngercheumicin I
CID 139583889

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octadecanamide?
The IUPAC name of 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octadecanamide (CID 138454227) is 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octadecanamide.
What is the SMILES notation for 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octadecanamide?
The canonical SMILES for 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octadecanamide is CCCCCCCCCCCCCCCC(O)CC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octadecanamide?
The InChIKey is IHJILWQXHBSFMS-ANYOKISRSA-N. The full InChI is InChI=1S/C22H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(24)18-21(25)23-20-16-17-27-22(20)26/h19-20,24H,2-18H2,1H3,(H,23,25)/t19?,20-/m0/s1.
What are the key properties of 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octadecanamide?
3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octadecanamide has a molecular weight of 383.57 g/mol, XLogP of 4.65, 17 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]octadecanamide is sourced from PubChem (CID 138454227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).