2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

C23H27NO5 — CID 3480925

IUPAC2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC(C)C1C=C(C(=O)Nc2ccccc2O)OC(OCc2ccc(CO)cc2)C1
InChIInChI=1S/C23H27NO5/c1-15(2)18-11-21(23(27)24-19-5-3-4-6-20(19)26)29-22(12-18)28-14-17-9-7-16(13-25)8-10-17/h3-11,15,18,22,25-26H,12-14H2,1-2H3,(H,24,27)
InChIKeyHEELTYMBCHIRLE-UHFFFAOYSA-N
MW397.47 g/mol
LogP3.94
Rot. Bonds7

About 2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 3480925) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID3480925
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC(C)C1C=C(C(=O)Nc2ccccc2O)OC(OCc2ccc(CO)cc2)C1
InChIInChI=1S/C23H27NO5/c1-15(2)18-11-21(23(27)24-19-5-3-4-6-20(19)26)29-22(12-18)28-14-17-9-7-16(13-25)8-10-17/h3-11,15,18,22,25-26H,12-14H2,1-2H3,(H,24,27)
InChIKeyHEELTYMBCHIRLE-UHFFFAOYSA-N
XLogP3.94
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of 2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 3480925) is 2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for 2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for 2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is CC(C)C1C=C(C(=O)Nc2ccccc2O)OC(OCc2ccc(CO)cc2)C1.
What is the InChIKey of 2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is HEELTYMBCHIRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-15(2)18-11-21(23(27)24-19-5-3-4-6-20(19)26)29-22(12-18)28-14-17-9-7-16(13-25)8-10-17/h3-11,15,18,22,25-26H,12-14H2,1-2H3,(H,24,27).
What are the key properties of 2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 397.47 g/mol, XLogP of 3.94, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 3480925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).