2-ethoxyethyl 2-[[6-[[2-(2-ethoxyethoxy)-2-oxoacetyl]amino]-2-pyridinyl]amino]-2-oxoacetate

C17H23N3O8 — CID 13277216

IUPAC2-ethoxyethyl 2-[[6-[[2-(2-ethoxyethoxy)-2-oxoacetyl]amino]-2-pyridinyl]amino]-2-oxoacetate
SMILESCCOCCOC(=O)C(=O)Nc1cccc(NC(=O)C(=O)OCCOCC)n1
InChIInChI=1S/C17H23N3O8/c1-3-25-8-10-27-16(23)14(21)19-12-6-5-7-13(18-12)20-15(22)17(24)28-11-9-26-4-2/h5-7H,3-4,8-11H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyXWIUJKAVRYSJOM-UHFFFAOYSA-N
MW397.38 g/mol
LogP0.12
Rot. Bonds10

About 2-ethoxyethyl 2-[[6-[[2-(2-ethoxyethoxy)-2-oxoacetyl]amino]-2-pyridinyl]amino]-2-oxoacetate

2-ethoxyethyl 2-[[6-[[2-(2-ethoxyethoxy)-2-oxoacetyl]amino]-2-pyridinyl]amino]-2-oxoacetate (PubChem CID 13277216) has the molecular formula C17H23N3O8 and a molecular weight of 397.38 g/mol. Its IUPAC name is 2-ethoxyethyl 2-[[6-[[2-(2-ethoxyethoxy)-2-oxoacetyl]amino]-2-pyridinyl]amino]-2-oxoacetate.

Molecular Properties

Compound Name2-ethoxyethyl 2-[[6-[[2-(2-ethoxyethoxy)-2-oxoacetyl]amino]-2-pyridinyl]amino]-2-oxoacetate
PubChem CID13277216
Molecular FormulaC17H23N3O8
Molecular Weight397.38 g/mol
Exact Mass397.15
IUPAC Name2-ethoxyethyl 2-[[6-[[2-(2-ethoxyethoxy)-2-oxoacetyl]amino]-2-pyridinyl]amino]-2-oxoacetate
SMILESCCOCCOC(=O)C(=O)Nc1cccc(NC(=O)C(=O)OCCOCC)n1
InChIInChI=1S/C17H23N3O8/c1-3-25-8-10-27-16(23)14(21)19-12-6-5-7-13(18-12)20-15(22)17(24)28-11-9-26-4-2/h5-7H,3-4,8-11H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyXWIUJKAVRYSJOM-UHFFFAOYSA-N
XLogP0.12
TPSA142.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-ethoxyethyl 2-[[6-[[2-(2-ethoxyethoxy)-2-oxoacetyl]amino]-2-pyridinyl]amino]-2-oxoacetate with MolForge

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Related Compounds

ethyl 2-oxo-2-[(6-phenyl-2-pyridinyl)amino]acetate
CID 110481902
N-[6-(propanoylamino)-2-pyridinyl]propanamide
CID 835275
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911
2-ethoxyethyl N-phenylcarbamate
CID 4101389
ethyl N-(6-methyl-2-pyridinyl)carbamate
CID 5197559
2-ethoxyethyl 2-[[4-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 14814729
ethyl N-(6-fluoro-2-pyridinyl)carbamate
CID 45119575
2-ethoxyethyl 2-quinolin-8-yloxyacetate
CID 71408852
2-ethoxyethyl 2-[[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 14814731
N,N-bis(2-ethoxyethyl)-6-(methylamino)pyridine-2-carboxamide
CID 82941671
4-ethoxy-1-pyridin-3-ylbutan-2-one
CID 94504995
2-ethoxyethyl 3-aminopyridine-2-carboxylate
CID 115867339

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-[[6-[[2-(2-ethoxyethoxy)-2-oxoacetyl]amino]-2-pyridinyl]amino]-2-oxoacetate?
The IUPAC name of 2-ethoxyethyl 2-[[6-[[2-(2-ethoxyethoxy)-2-oxoacetyl]amino]-2-pyridinyl]amino]-2-oxoacetate (CID 13277216) is 2-ethoxyethyl 2-[[6-[[2-(2-ethoxyethoxy)-2-oxoacetyl]amino]-2-pyridinyl]amino]-2-oxoacetate.
What is the SMILES notation for 2-ethoxyethyl 2-[[6-[[2-(2-ethoxyethoxy)-2-oxoacetyl]amino]-2-pyridinyl]amino]-2-oxoacetate?
The canonical SMILES for 2-ethoxyethyl 2-[[6-[[2-(2-ethoxyethoxy)-2-oxoacetyl]amino]-2-pyridinyl]amino]-2-oxoacetate is CCOCCOC(=O)C(=O)Nc1cccc(NC(=O)C(=O)OCCOCC)n1.
What is the InChIKey of 2-ethoxyethyl 2-[[6-[[2-(2-ethoxyethoxy)-2-oxoacetyl]amino]-2-pyridinyl]amino]-2-oxoacetate?
The InChIKey is XWIUJKAVRYSJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O8/c1-3-25-8-10-27-16(23)14(21)19-12-6-5-7-13(18-12)20-15(22)17(24)28-11-9-26-4-2/h5-7H,3-4,8-11H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 2-ethoxyethyl 2-[[6-[[2-(2-ethoxyethoxy)-2-oxoacetyl]amino]-2-pyridinyl]amino]-2-oxoacetate?
2-ethoxyethyl 2-[[6-[[2-(2-ethoxyethoxy)-2-oxoacetyl]amino]-2-pyridinyl]amino]-2-oxoacetate has a molecular weight of 397.38 g/mol, XLogP of 0.12, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-[[6-[[2-(2-ethoxyethoxy)-2-oxoacetyl]amino]-2-pyridinyl]amino]-2-oxoacetate is sourced from PubChem (CID 13277216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).