2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide

C22H25NO6 — CID 4165712

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Nc1ccccc1O)C1=CC(c2ccccc2)CC(OCCOCCO)O1
InChIInChI=1S/C22H25NO6/c24-10-11-27-12-13-28-21-15-17(16-6-2-1-3-7-16)14-20(29-21)22(26)23-18-8-4-5-9-19(18)25/h1-9,14,17,21,24-25H,10-13,15H2,(H,23,26)
InChIKeyZHWDGNKMLJVZIL-UHFFFAOYSA-N
MW399.44 g/mol
LogP2.77
Rot. Bonds9

About 2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide

2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 4165712) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID4165712
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Nc1ccccc1O)C1=CC(c2ccccc2)CC(OCCOCCO)O1
InChIInChI=1S/C22H25NO6/c24-10-11-27-12-13-28-21-15-17(16-6-2-1-3-7-16)14-20(29-21)22(26)23-18-8-4-5-9-19(18)25/h1-9,14,17,21,24-25H,10-13,15H2,(H,23,26)
InChIKeyZHWDGNKMLJVZIL-UHFFFAOYSA-N
XLogP2.77
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 4165712) is 2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is O=C(Nc1ccccc1O)C1=CC(c2ccccc2)CC(OCCOCCO)O1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is ZHWDGNKMLJVZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO6/c24-10-11-27-12-13-28-21-15-17(16-6-2-1-3-7-16)14-20(29-21)22(26)23-18-8-4-5-9-19(18)25/h1-9,14,17,21,24-25H,10-13,15H2,(H,23,26).
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 399.44 g/mol, XLogP of 2.77, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 4165712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).