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

C16H27NO5 — CID 11823149

IUPAC12-hydroxy-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
SMILESO=C(CCCCCCCCCO)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C16H27NO5/c18-10-7-5-3-1-2-4-6-8-13(19)12-15(20)17-14-9-11-22-16(14)21/h14,18H,1-12H2,(H,17,20)/t14-/m0/s1
InChIKeyTYUXTFXEFIVUFL-AWEZNQCLSA-N
MW313.39 g/mol
LogP1.49
Rot. Bonds12

About 12-hydroxy-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide

12-hydroxy-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide (PubChem CID 11823149) has the molecular formula C16H27NO5 and a molecular weight of 313.39 g/mol. Its IUPAC name is 12-hydroxy-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide.

Molecular Properties

Compound Name12-hydroxy-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
PubChem CID11823149
Molecular FormulaC16H27NO5
Molecular Weight313.39 g/mol
Exact Mass313.19
IUPAC Name12-hydroxy-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
SMILESO=C(CCCCCCCCCO)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C16H27NO5/c18-10-7-5-3-1-2-4-6-8-13(19)12-15(20)17-14-9-11-22-16(14)21/h14,18H,1-12H2,(H,17,20)/t14-/m0/s1
InChIKeyTYUXTFXEFIVUFL-AWEZNQCLSA-N
XLogP1.49
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-hydroxy-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide?
The IUPAC name of 12-hydroxy-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide (CID 11823149) is 12-hydroxy-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide.
What is the SMILES notation for 12-hydroxy-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide?
The canonical SMILES for 12-hydroxy-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide is O=C(CCCCCCCCCO)CC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of 12-hydroxy-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide?
The InChIKey is TYUXTFXEFIVUFL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H27NO5/c18-10-7-5-3-1-2-4-6-8-13(19)12-15(20)17-14-9-11-22-16(14)21/h14,18H,1-12H2,(H,17,20)/t14-/m0/s1.
What are the key properties of 12-hydroxy-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide?
12-hydroxy-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide has a molecular weight of 313.39 g/mol, XLogP of 1.49, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxy-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide is sourced from PubChem (CID 11823149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).