2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide

C26H35NO9 — CID 5079610

IUPAC2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCOC1OC(C(=O)NCCOC)=CC(c2coc3ccccc3c2=O)C1CCOCCOCCO
InChIInChI=1S/C26H35NO9/c1-3-34-26-18(8-11-32-14-15-33-13-10-28)20(16-23(36-26)25(30)27-9-12-31-2)21-17-35-22-7-5-4-6-19(22)24(21)29/h4-7,16-18,20,26,28H,3,8-15H2,1-2H3,(H,27,30)
InChIKeyYTYYUZPOBYFMIR-UHFFFAOYSA-N
MW505.56 g/mol
LogP1.95
Rot. Bonds15

About 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide

2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 5079610) has the molecular formula C26H35NO9 and a molecular weight of 505.56 g/mol. Its IUPAC name is 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID5079610
Molecular FormulaC26H35NO9
Molecular Weight505.56 g/mol
Exact Mass505.23
IUPAC Name2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCOC1OC(C(=O)NCCOC)=CC(c2coc3ccccc3c2=O)C1CCOCCOCCO
InChIInChI=1S/C26H35NO9/c1-3-34-26-18(8-11-32-14-15-33-13-10-28)20(16-23(36-26)25(30)27-9-12-31-2)21-17-35-22-7-5-4-6-19(22)24(21)29/h4-7,16-18,20,26,28H,3,8-15H2,1-2H3,(H,27,30)
InChIKeyYTYYUZPOBYFMIR-UHFFFAOYSA-N
XLogP1.95
TPSA125.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.56
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 5079610) is 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide is CCOC1OC(C(=O)NCCOC)=CC(c2coc3ccccc3c2=O)C1CCOCCOCCO.
What is the InChIKey of 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is YTYYUZPOBYFMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO9/c1-3-34-26-18(8-11-32-14-15-33-13-10-28)20(16-23(36-26)25(30)27-9-12-31-2)21-17-35-22-7-5-4-6-19(22)24(21)29/h4-7,16-18,20,26,28H,3,8-15H2,1-2H3,(H,27,30).
What are the key properties of 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 505.56 g/mol, XLogP of 1.95, 15 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 5079610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).