2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide

C22H25NO5 — CID 4069046

IUPAC2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Nc1ccccc1O)C1=CC(c2ccccc2)CC(OCCCCO)O1
InChIInChI=1S/C22H25NO5/c24-12-6-7-13-27-21-15-17(16-8-2-1-3-9-16)14-20(28-21)22(26)23-18-10-4-5-11-19(18)25/h1-5,8-11,14,17,21,24-25H,6-7,12-13,15H2,(H,23,26)
InChIKeyOGHFHHQHVZEGJW-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.53
Rot. Bonds8

About 2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide

2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 4069046) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is 2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID4069046
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Nc1ccccc1O)C1=CC(c2ccccc2)CC(OCCCCO)O1
InChIInChI=1S/C22H25NO5/c24-12-6-7-13-27-21-15-17(16-8-2-1-3-9-16)14-20(28-21)22(26)23-18-10-4-5-11-19(18)25/h1-5,8-11,14,17,21,24-25H,6-7,12-13,15H2,(H,23,26)
InChIKeyOGHFHHQHVZEGJW-UHFFFAOYSA-N
XLogP3.53
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of 2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 4069046) is 2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for 2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for 2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is O=C(Nc1ccccc1O)C1=CC(c2ccccc2)CC(OCCCCO)O1.
What is the InChIKey of 2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is OGHFHHQHVZEGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c24-12-6-7-13-27-21-15-17(16-8-2-1-3-9-16)14-20(28-21)22(26)23-18-10-4-5-11-19(18)25/h1-5,8-11,14,17,21,24-25H,6-7,12-13,15H2,(H,23,26).
What are the key properties of 2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 383.44 g/mol, XLogP of 3.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 4069046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).