N-[2-[2-(2-azidoethoxy)ethoxy]-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide

C13H24N4O6 — CID 118505551

IUPACN-[2-[2-(2-azidoethoxy)ethoxy]-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide
SMILESCC(=O)NC1C(OCCOCCN=[N+]=[N-])OC(CO)C(C)C1O
InChIInChI=1S/C13H24N4O6/c1-8-10(7-18)23-13(11(12(8)20)16-9(2)19)22-6-5-21-4-3-15-17-14/h8,10-13,18,20H,3-7H2,1-2H3,(H,16,19)
InChIKeyABQKXZUSARYCAQ-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.45
Rot. Bonds9

About N-[2-[2-(2-azidoethoxy)ethoxy]-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide

N-[2-[2-(2-azidoethoxy)ethoxy]-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide (PubChem CID 118505551) has the molecular formula C13H24N4O6 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[2-[2-(2-azidoethoxy)ethoxy]-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-azidoethoxy)ethoxy]-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide
PubChem CID118505551
Molecular FormulaC13H24N4O6
Molecular Weight332.36 g/mol
Exact Mass332.17
IUPAC NameN-[2-[2-(2-azidoethoxy)ethoxy]-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide
SMILESCC(=O)NC1C(OCCOCCN=[N+]=[N-])OC(CO)C(C)C1O
InChIInChI=1S/C13H24N4O6/c1-8-10(7-18)23-13(11(12(8)20)16-9(2)19)22-6-5-21-4-3-15-17-14/h8,10-13,18,20H,3-7H2,1-2H3,(H,16,19)
InChIKeyABQKXZUSARYCAQ-UHFFFAOYSA-N
XLogP-0.45
TPSA146.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-[(2R,3R,4R,5R,6R)-2-(2-azidoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;(2R,3R,4S,5S,6R)-2-(2-azidoethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 166771598
N-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(2-propoxyethoxy)ethoxy]oxan-3-yl]acetamide
CID 169238857
N-[(3R,4R,5S,6R)-2-(2-ethoxyethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 174993947
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]oxan-3-yl]acetamide
CID 129107592
N-[(2R,5R)-2-[2-[2-[2-[2-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 156737513
N-[2-[2-[2-[2-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 123986037
3-[2-[2-[2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]propanoic acid
CID 99719003
N-[(3S,4R,5R)-2-[2-[2-[2-[2-[2-[2-[(3S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl-methylamino]ethoxy]ethoxy]ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 153461722
N-[2-[2-[2-[3-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 76649211
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]oxan-3-yl]acetamide
CID 125033053
N-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]oxan-3-yl]acetamide
CID 99957977
[(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-(2-azidoethoxy)ethoxy]oxan-2-yl]methyl acetate
CID 51355476

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-azidoethoxy)ethoxy]-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide?
The IUPAC name of N-[2-[2-(2-azidoethoxy)ethoxy]-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide (CID 118505551) is N-[2-[2-(2-azidoethoxy)ethoxy]-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide.
What is the SMILES notation for N-[2-[2-(2-azidoethoxy)ethoxy]-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide?
The canonical SMILES for N-[2-[2-(2-azidoethoxy)ethoxy]-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide is CC(=O)NC1C(OCCOCCN=[N+]=[N-])OC(CO)C(C)C1O.
What is the InChIKey of N-[2-[2-(2-azidoethoxy)ethoxy]-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide?
The InChIKey is ABQKXZUSARYCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O6/c1-8-10(7-18)23-13(11(12(8)20)16-9(2)19)22-6-5-21-4-3-15-17-14/h8,10-13,18,20H,3-7H2,1-2H3,(H,16,19).
What are the key properties of N-[2-[2-(2-azidoethoxy)ethoxy]-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide?
N-[2-[2-(2-azidoethoxy)ethoxy]-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide has a molecular weight of 332.36 g/mol, XLogP of -0.45, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-azidoethoxy)ethoxy]-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide is sourced from PubChem (CID 118505551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).