2-[2-[2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)ethoxy]ethoxy]acetamide

C15H19NO6 — CID 58265195

IUPAC2-[2-[2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)ethoxy]ethoxy]acetamide
SMILESNC(=O)COCCOCCC1CC(=O)Oc2cc(O)ccc21
InChIInChI=1S/C15H19NO6/c16-14(18)9-21-6-5-20-4-3-10-7-15(19)22-13-8-11(17)1-2-12(10)13/h1-2,8,10,17H,3-7,9H2,(H2,16,18)
InChIKeyNPOCHWKUEMAFJG-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.69
Rot. Bonds8

About 2-[2-[2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)ethoxy]ethoxy]acetamide

2-[2-[2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)ethoxy]ethoxy]acetamide (PubChem CID 58265195) has the molecular formula C15H19NO6 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[2-[2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)ethoxy]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)ethoxy]ethoxy]acetamide
PubChem CID58265195
Molecular FormulaC15H19NO6
Molecular Weight309.32 g/mol
Exact Mass309.12
IUPAC Name2-[2-[2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)ethoxy]ethoxy]acetamide
SMILESNC(=O)COCCOCCC1CC(=O)Oc2cc(O)ccc21
InChIInChI=1S/C15H19NO6/c16-14(18)9-21-6-5-20-4-3-10-7-15(19)22-13-8-11(17)1-2-12(10)13/h1-2,8,10,17H,3-7,9H2,(H2,16,18)
InChIKeyNPOCHWKUEMAFJG-UHFFFAOYSA-N
XLogP0.69
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)ethoxy]ethoxy]acetamide?
The IUPAC name of 2-[2-[2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)ethoxy]ethoxy]acetamide (CID 58265195) is 2-[2-[2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)ethoxy]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)ethoxy]ethoxy]acetamide?
The canonical SMILES for 2-[2-[2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)ethoxy]ethoxy]acetamide is NC(=O)COCCOCCC1CC(=O)Oc2cc(O)ccc21.
What is the InChIKey of 2-[2-[2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)ethoxy]ethoxy]acetamide?
The InChIKey is NPOCHWKUEMAFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO6/c16-14(18)9-21-6-5-20-4-3-10-7-15(19)22-13-8-11(17)1-2-12(10)13/h1-2,8,10,17H,3-7,9H2,(H2,16,18).
What are the key properties of 2-[2-[2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)ethoxy]ethoxy]acetamide?
2-[2-[2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)ethoxy]ethoxy]acetamide has a molecular weight of 309.32 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)ethoxy]ethoxy]acetamide is sourced from PubChem (CID 58265195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).