N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide

C18H33NO10 — CID 129136835

IUPACN-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
SMILESCOCCOCCOCCOCCOC[C@@]12CO[C@H](O1)[C@H](NC(C)=O)[C@@H](O)[C@H]2O
InChIInChI=1S/C18H33NO10/c1-13(20)19-14-15(21)16(22)18(12-28-17(14)29-18)11-27-10-9-26-8-7-25-6-5-24-4-3-23-2/h14-17,21-22H,3-12H2,1-2H3,(H,19,20)/t14-,15-,16-,17-,18+/m1/s1
InChIKeyZRUWPDABYAWGNX-ZKXLYKBJSA-N
MW423.46 g/mol
LogP-1.95
Rot. Bonds15

About N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide

N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide (PubChem CID 129136835) has the molecular formula C18H33NO10 and a molecular weight of 423.46 g/mol. Its IUPAC name is N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
PubChem CID129136835
Molecular FormulaC18H33NO10
Molecular Weight423.46 g/mol
Exact Mass423.21
IUPAC NameN-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
SMILESCOCCOCCOCCOCCOC[C@@]12CO[C@H](O1)[C@H](NC(C)=O)[C@@H](O)[C@H]2O
InChIInChI=1S/C18H33NO10/c1-13(20)19-14-15(21)16(22)18(12-28-17(14)29-18)11-27-10-9-26-8-7-25-6-5-24-4-3-23-2/h14-17,21-22H,3-12H2,1-2H3,(H,19,20)/t14-,15-,16-,17-,18+/m1/s1
InChIKeyZRUWPDABYAWGNX-ZKXLYKBJSA-N
XLogP-1.95
TPSA134.17 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 5-1.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The IUPAC name of N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide (CID 129136835) is N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide.
What is the SMILES notation for N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The canonical SMILES for N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide is COCCOCCOCCOCCOC[C@@]12CO[C@H](O1)[C@H](NC(C)=O)[C@@H](O)[C@H]2O.
What is the InChIKey of N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The InChIKey is ZRUWPDABYAWGNX-ZKXLYKBJSA-N. The full InChI is InChI=1S/C18H33NO10/c1-13(20)19-14-15(21)16(22)18(12-28-17(14)29-18)11-27-10-9-26-8-7-25-6-5-24-4-3-23-2/h14-17,21-22H,3-12H2,1-2H3,(H,19,20)/t14-,15-,16-,17-,18+/m1/s1.
What are the key properties of N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide has a molecular weight of 423.46 g/mol, XLogP of -1.95, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide is sourced from PubChem (CID 129136835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).