5-[[benzyl(methyl)amino]methyl]-3,6-diphenylpyran-2-one

C26H23NO2 — CID 164678396

IUPAC5-[[benzyl(methyl)amino]methyl]-3,6-diphenylpyran-2-one
SMILESCN(Cc1ccccc1)Cc1cc(-c2ccccc2)c(=O)oc1-c1ccccc1
InChIInChI=1S/C26H23NO2/c1-27(18-20-11-5-2-6-12-20)19-23-17-24(21-13-7-3-8-14-21)26(28)29-25(23)22-15-9-4-10-16-22/h2-17H,18-19H2,1H3
InChIKeyJXBMWSPXRXJSAP-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.61
Rot. Bonds6

About 5-[[benzyl(methyl)amino]methyl]-3,6-diphenylpyran-2-one

5-[[benzyl(methyl)amino]methyl]-3,6-diphenylpyran-2-one (PubChem CID 164678396) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-[[benzyl(methyl)amino]methyl]-3,6-diphenylpyran-2-one.

Molecular Properties

Compound Name5-[[benzyl(methyl)amino]methyl]-3,6-diphenylpyran-2-one
PubChem CID164678396
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Name5-[[benzyl(methyl)amino]methyl]-3,6-diphenylpyran-2-one
SMILESCN(Cc1ccccc1)Cc1cc(-c2ccccc2)c(=O)oc1-c1ccccc1
InChIInChI=1S/C26H23NO2/c1-27(18-20-11-5-2-6-12-20)19-23-17-24(21-13-7-3-8-14-21)26(28)29-25(23)22-15-9-4-10-16-22/h2-17H,18-19H2,1H3
InChIKeyJXBMWSPXRXJSAP-UHFFFAOYSA-N
XLogP5.61
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(methyl)amino]methyl]-3,6-diphenylpyran-2-one?
The IUPAC name of 5-[[benzyl(methyl)amino]methyl]-3,6-diphenylpyran-2-one (CID 164678396) is 5-[[benzyl(methyl)amino]methyl]-3,6-diphenylpyran-2-one.
What is the SMILES notation for 5-[[benzyl(methyl)amino]methyl]-3,6-diphenylpyran-2-one?
The canonical SMILES for 5-[[benzyl(methyl)amino]methyl]-3,6-diphenylpyran-2-one is CN(Cc1ccccc1)Cc1cc(-c2ccccc2)c(=O)oc1-c1ccccc1.
What is the InChIKey of 5-[[benzyl(methyl)amino]methyl]-3,6-diphenylpyran-2-one?
The InChIKey is JXBMWSPXRXJSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO2/c1-27(18-20-11-5-2-6-12-20)19-23-17-24(21-13-7-3-8-14-21)26(28)29-25(23)22-15-9-4-10-16-22/h2-17H,18-19H2,1H3.
What are the key properties of 5-[[benzyl(methyl)amino]methyl]-3,6-diphenylpyran-2-one?
5-[[benzyl(methyl)amino]methyl]-3,6-diphenylpyran-2-one has a molecular weight of 381.48 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl(methyl)amino]methyl]-3,6-diphenylpyran-2-one is sourced from PubChem (CID 164678396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).