N-[(2S,3S,4R,5S,6R)-2-hexyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C14H27NO5 — CID 90909402

IUPACN-[(2S,3S,4R,5S,6R)-2-hexyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCCCCCC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(C)=O
InChIInChI=1S/C14H27NO5/c1-3-4-5-6-7-10-12(15-9(2)17)14(19)13(18)11(8-16)20-10/h10-14,16,18-19H,3-8H2,1-2H3,(H,15,17)/t10-,11+,12+,13+,14+/m0/s1
InChIKeyCNRBIYHLFMAGNM-RYMFRWLXSA-N
MW289.37 g/mol
LogP-0.06
Rot. Bonds7

About N-[(2S,3S,4R,5S,6R)-2-hexyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(2S,3S,4R,5S,6R)-2-hexyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 90909402) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[(2S,3S,4R,5S,6R)-2-hexyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S,4R,5S,6R)-2-hexyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID90909402
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC NameN-[(2S,3S,4R,5S,6R)-2-hexyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCCCCCC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(C)=O
InChIInChI=1S/C14H27NO5/c1-3-4-5-6-7-10-12(15-9(2)17)14(19)13(18)11(8-16)20-10/h10-14,16,18-19H,3-8H2,1-2H3,(H,15,17)/t10-,11+,12+,13+,14+/m0/s1
InChIKeyCNRBIYHLFMAGNM-RYMFRWLXSA-N
XLogP-0.06
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2S,3S,4R,5S,6R)-2-hexyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide with MolForge

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Related Compounds

N-acetyl-alpha-D-galactosamine
CID 84265
N-Acetyl-D-Glucosamine
CID 439174
N-acetyl-beta-D-galactosamine
CID 440552
N-Acetyl-D-Mannosamine
CID 439281
N-Acetyl-Alpha-D-Glucosamine
CID 82313
beta-D-erythro-Hexopyranos-2-ulose, 1,6-anhydro-3-deoxy-4-O-(phenylmethyl)-, dimethyl acetal
CID 439454
N-Acetyl-D-Galactosamine
CID 35717
N-ACETYL-beta-D-GLUCOSAMINE
CID 24139
2-(Acetylamino)-2-deoxy-beta-D-mannopyranose
CID 11096158
alpha-D-N-Acetylmannosamine
CID 644170
2-Acetamido-1,5-imino-1,2,5-trideoxy-D-glucitol
CID 122617
N-Acetyl-Hexosamine
CID 899

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4R,5S,6R)-2-hexyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3S,4R,5S,6R)-2-hexyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 90909402) is N-[(2S,3S,4R,5S,6R)-2-hexyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3S,4R,5S,6R)-2-hexyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3S,4R,5S,6R)-2-hexyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CCCCCC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(C)=O.
What is the InChIKey of N-[(2S,3S,4R,5S,6R)-2-hexyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is CNRBIYHLFMAGNM-RYMFRWLXSA-N. The full InChI is InChI=1S/C14H27NO5/c1-3-4-5-6-7-10-12(15-9(2)17)14(19)13(18)11(8-16)20-10/h10-14,16,18-19H,3-8H2,1-2H3,(H,15,17)/t10-,11+,12+,13+,14+/m0/s1.
What are the key properties of N-[(2S,3S,4R,5S,6R)-2-hexyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[(2S,3S,4R,5S,6R)-2-hexyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 289.37 g/mol, XLogP of -0.06, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,4R,5S,6R)-2-hexyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 90909402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).