2-(2,3-diformylphenoxy)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide

C18H25NO8 — CID 178004235

IUPAC2-(2,3-diformylphenoxy)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
SMILESO=Cc1cccc(OCC(=O)NCCOCCOCCOCCO)c1C=O
InChIInChI=1S/C18H25NO8/c20-5-7-25-9-11-26-10-8-24-6-4-19-18(23)14-27-17-3-1-2-15(12-21)16(17)13-22/h1-3,12-13,20H,4-11,14H2,(H,19,23)
InChIKeyAYUWOPZUMILCEG-UHFFFAOYSA-N
MW383.40 g/mol
LogP-0.15
Rot. Bonds16

About 2-(2,3-diformylphenoxy)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide

2-(2,3-diformylphenoxy)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide (PubChem CID 178004235) has the molecular formula C18H25NO8 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-(2,3-diformylphenoxy)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-diformylphenoxy)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
PubChem CID178004235
Molecular FormulaC18H25NO8
Molecular Weight383.40 g/mol
Exact Mass383.16
IUPAC Name2-(2,3-diformylphenoxy)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
SMILESO=Cc1cccc(OCC(=O)NCCOCCOCCOCCO)c1C=O
InChIInChI=1S/C18H25NO8/c20-5-7-25-9-11-26-10-8-24-6-4-19-18(23)14-27-17-3-1-2-15(12-21)16(17)13-22/h1-3,12-13,20H,4-11,14H2,(H,19,23)
InChIKeyAYUWOPZUMILCEG-UHFFFAOYSA-N
XLogP-0.15
TPSA120.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 60654502
N-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-2-(2-formyl-3-methylphenoxy)acetamide
CID 167136638
2-(2-chlorophenoxy)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60654382
2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 15933584
N-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide
CID 134050472
2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide
CID 178004588
tert-butyl 2-(2,3-diformylphenoxy)acetate
CID 178004978
N-(4-acetamidobutyl)-2-(2-acetyl-3-formylphenoxy)acetamide
CID 153330138
N-(2,3-dimethylphenyl)-2-[[2-(2-formylphenoxy)acetyl]amino]acetamide
CID 7763027
2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide
CID 43471368
N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide
CID 60654485
3-bromo-2-[2-(2-hydroxyethoxy)ethoxy]benzaldehyde
CID 61391298

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-diformylphenoxy)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of 2-(2,3-diformylphenoxy)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide (CID 178004235) is 2-(2,3-diformylphenoxy)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-(2,3-diformylphenoxy)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for 2-(2,3-diformylphenoxy)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide is O=Cc1cccc(OCC(=O)NCCOCCOCCOCCO)c1C=O.
What is the InChIKey of 2-(2,3-diformylphenoxy)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is AYUWOPZUMILCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO8/c20-5-7-25-9-11-26-10-8-24-6-4-19-18(23)14-27-17-3-1-2-15(12-21)16(17)13-22/h1-3,12-13,20H,4-11,14H2,(H,19,23).
What are the key properties of 2-(2,3-diformylphenoxy)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide?
2-(2,3-diformylphenoxy)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 383.40 g/mol, XLogP of -0.15, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-diformylphenoxy)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 178004235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).