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

C18H33NO4 — CID 10903547

IUPAC3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide
SMILESCCCCCCCCCCCC(O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C18H33NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h15-16,20H,2-14H2,1H3,(H,19,21)/t15?,16-/m0/s1
InChIKeyIKQUESGRCDRZTI-LYKKTTPLSA-N
MW327.47 g/mol
LogP3.09
Rot. Bonds13

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

3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide (PubChem CID 10903547) has the molecular formula C18H33NO4 and a molecular weight of 327.47 g/mol. Its IUPAC name is 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide
PubChem CID10903547
Molecular FormulaC18H33NO4
Molecular Weight327.47 g/mol
Exact Mass327.24
IUPAC Name3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide
SMILESCCCCCCCCCCCC(O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C18H33NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h15-16,20H,2-14H2,1H3,(H,19,21)/t15?,16-/m0/s1
InChIKeyIKQUESGRCDRZTI-LYKKTTPLSA-N
XLogP3.09
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.09
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]tetradecanamide?
The IUPAC name of 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide (CID 10903547) is 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide.
What is the SMILES notation for 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide?
The canonical SMILES for 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide is CCCCCCCCCCCC(O)CC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide?
The InChIKey is IKQUESGRCDRZTI-LYKKTTPLSA-N. The full InChI is InChI=1S/C18H33NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h15-16,20H,2-14H2,1H3,(H,19,21)/t15?,16-/m0/s1.
What are the key properties of 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide?
3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide has a molecular weight of 327.47 g/mol, XLogP of 3.09, 13 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]tetradecanamide is sourced from PubChem (CID 10903547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).