2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-tetradecylacetamide

C20H37NO6 — CID 138523292

IUPAC2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-tetradecylacetamide
SMILESCCCCCCCCCCCCCCNC(=O)C(O)[C@H]1OC(=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C20H37NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-19(25)17(24)18-15(22)16(23)20(26)27-18/h15-18,22-24H,2-14H2,1H3,(H,21,25)/t15-,16+,17?,18+/m1/s1
InChIKeyVGIPUAYFKPYONP-BHGSFYIQSA-N
MW387.52 g/mol
LogP1.81
Rot. Bonds15

About 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-tetradecylacetamide

2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-tetradecylacetamide (PubChem CID 138523292) has the molecular formula C20H37NO6 and a molecular weight of 387.52 g/mol. Its IUPAC name is 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-tetradecylacetamide.

Molecular Properties

Compound Name2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-tetradecylacetamide
PubChem CID138523292
Molecular FormulaC20H37NO6
Molecular Weight387.52 g/mol
Exact Mass387.26
IUPAC Name2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-tetradecylacetamide
SMILESCCCCCCCCCCCCCCNC(=O)C(O)[C@H]1OC(=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C20H37NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-19(25)17(24)18-15(22)16(23)20(26)27-18/h15-18,22-24H,2-14H2,1H3,(H,21,25)/t15-,16+,17?,18+/m1/s1
InChIKeyVGIPUAYFKPYONP-BHGSFYIQSA-N
XLogP1.81
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-tetradecylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undecylacetamide
CID 138523365
(2S)-N-(10-aminodecyl)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetamide
CID 10497774
(2S)-N-(4-aminobutyl)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetamide
CID 10563404
(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-N-ethyl-2-hydroxyacetamide
CID 138531918
2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undec-1-enylacetamide
CID 175017982
tetradecyl 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetate
CID 146197114
N-hexyl-2-hydroxy-2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 134517851
(2S)-2-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetate
CID 91825577
(2R)-2-[(2R,3R,4S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-N-heptyl-2-hydroxyacetamide
CID 129449637
(2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide
CID 11392932
(3R,4R)-5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one
CID 10103714
(4S,5R)-5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one
CID 24802183

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-tetradecylacetamide?
The IUPAC name of 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-tetradecylacetamide (CID 138523292) is 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-tetradecylacetamide.
What is the SMILES notation for 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-tetradecylacetamide?
The canonical SMILES for 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-tetradecylacetamide is CCCCCCCCCCCCCCNC(=O)C(O)[C@H]1OC(=O)[C@@H](O)[C@H]1O.
What is the InChIKey of 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-tetradecylacetamide?
The InChIKey is VGIPUAYFKPYONP-BHGSFYIQSA-N. The full InChI is InChI=1S/C20H37NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-19(25)17(24)18-15(22)16(23)20(26)27-18/h15-18,22-24H,2-14H2,1H3,(H,21,25)/t15-,16+,17?,18+/m1/s1.
What are the key properties of 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-tetradecylacetamide?
2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-tetradecylacetamide has a molecular weight of 387.52 g/mol, XLogP of 1.81, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-tetradecylacetamide is sourced from PubChem (CID 138523292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).