N-[(2R,3R,4R,5R,6R)-2-dec-9-enoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C18H33NO6 — CID 15010871

IUPACN-[(2R,3R,4R,5R,6R)-2-dec-9-enoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESC=CCCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C18H33NO6/c1-3-4-5-6-7-8-9-10-11-24-18-15(19-13(2)21)17(23)16(22)14(12-20)25-18/h3,14-18,20,22-23H,1,4-12H2,2H3,(H,19,21)/t14-,15-,16+,17-,18-/m1/s1
InChIKeyXDDJEKKBWJXVQW-UYTYNIKBSA-N
MW359.46 g/mol
LogP0.86
Rot. Bonds12

About N-[(2R,3R,4R,5R,6R)-2-dec-9-enoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(2R,3R,4R,5R,6R)-2-dec-9-enoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 15010871) has the molecular formula C18H33NO6 and a molecular weight of 359.46 g/mol. Its IUPAC name is N-[(2R,3R,4R,5R,6R)-2-dec-9-enoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5R,6R)-2-dec-9-enoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID15010871
Molecular FormulaC18H33NO6
Molecular Weight359.46 g/mol
Exact Mass359.23
IUPAC NameN-[(2R,3R,4R,5R,6R)-2-dec-9-enoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESC=CCCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C18H33NO6/c1-3-4-5-6-7-8-9-10-11-24-18-15(19-13(2)21)17(23)16(22)14(12-20)25-18/h3,14-18,20,22-23H,1,4-12H2,2H3,(H,19,21)/t14-,15-,16+,17-,18-/m1/s1
InChIKeyXDDJEKKBWJXVQW-UYTYNIKBSA-N
XLogP0.86
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5R,6R)-2-dec-9-enoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R,5R,6R)-2-dec-9-enoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 15010871) is N-[(2R,3R,4R,5R,6R)-2-dec-9-enoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R,5R,6R)-2-dec-9-enoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R,5R,6R)-2-dec-9-enoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is C=CCCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O.
What is the InChIKey of N-[(2R,3R,4R,5R,6R)-2-dec-9-enoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is XDDJEKKBWJXVQW-UYTYNIKBSA-N. The full InChI is InChI=1S/C18H33NO6/c1-3-4-5-6-7-8-9-10-11-24-18-15(19-13(2)21)17(23)16(22)14(12-20)25-18/h3,14-18,20,22-23H,1,4-12H2,2H3,(H,19,21)/t14-,15-,16+,17-,18-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5R,6R)-2-dec-9-enoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[(2R,3R,4R,5R,6R)-2-dec-9-enoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 359.46 g/mol, XLogP of 0.86, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5R,6R)-2-dec-9-enoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 15010871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).