N-[2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octanamide

C14H27NO5 — CID 123488014

IUPACN-[2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octanamide
SMILESCCCCCCCC(=O)NC1C(O)CC(CO)OC1O
InChIInChI=1S/C14H27NO5/c1-2-3-4-5-6-7-12(18)15-13-11(17)8-10(9-16)20-14(13)19/h10-11,13-14,16-17,19H,2-9H2,1H3,(H,15,18)
InChIKeyZPRRBOLDTPPWLI-UHFFFAOYSA-N
MW289.37 g/mol
LogP0.29
Rot. Bonds8

About N-[2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octanamide

N-[2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octanamide (PubChem CID 123488014) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octanamide.

Molecular Properties

Compound NameN-[2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octanamide
PubChem CID123488014
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC NameN-[2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octanamide
SMILESCCCCCCCC(=O)NC1C(O)CC(CO)OC1O
InChIInChI=1S/C14H27NO5/c1-2-3-4-5-6-7-12(18)15-13-11(17)8-10(9-16)20-14(13)19/h10-11,13-14,16-17,19H,2-9H2,1H3,(H,15,18)
InChIKeyZPRRBOLDTPPWLI-UHFFFAOYSA-N
XLogP0.29
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexadecanamide
CID 101090548
(E)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]tetradec-9-enamide
CID 11132847
N-[(2S,4R,5S)-2-tert-butyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]decanamide
CID 71203777
N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]decanamide
CID 155614587
N-(3-azabicyclo[3.1.0]hexan-6-yl)dodecanamide
CID 65427507
N-(4-hydroxycyclohexyl)dodecanamide
CID 61380713
[5-(hexylamino)-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfate
CID 59093023
N-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecanamide
CID 70985585
N-[(1R,2S,3S,4R,5S)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]hexadecanamide
CID 10949376
N-(1-oxidoazetidin-1-ium-3-yl)heptanamide
CID 90428089
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]hexadecanamide
CID 18595870
N-[(2S,4R,5R)-2-[(3R,4R)-5-acetamido-4-ethoxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadecanamide
CID 58091645

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octanamide?
The IUPAC name of N-[2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octanamide (CID 123488014) is N-[2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octanamide.
What is the SMILES notation for N-[2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octanamide?
The canonical SMILES for N-[2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octanamide is CCCCCCCC(=O)NC1C(O)CC(CO)OC1O.
What is the InChIKey of N-[2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octanamide?
The InChIKey is ZPRRBOLDTPPWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5/c1-2-3-4-5-6-7-12(18)15-13-11(17)8-10(9-16)20-14(13)19/h10-11,13-14,16-17,19H,2-9H2,1H3,(H,15,18).
What are the key properties of N-[2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octanamide?
N-[2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octanamide has a molecular weight of 289.37 g/mol, XLogP of 0.29, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octanamide is sourced from PubChem (CID 123488014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).