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

C25H25NO2 — CID 10067826

IUPAC5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one
SMILESCN(Cc1ccccc1)CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1
InChIInChI=1S/C25H25NO2/c1-26(18-20-11-5-2-6-12-20)19-23-17-25(24(27)28-23,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,23H,17-19H2,1H3
InChIKeyIZUUAYYOAIIPNW-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.42
Rot. Bonds6

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

5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one (PubChem CID 10067826) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one.

Molecular Properties

Compound Name5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one
PubChem CID10067826
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one
SMILESCN(Cc1ccccc1)CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1
InChIInChI=1S/C25H25NO2/c1-26(18-20-11-5-2-6-12-20)19-23-17-25(24(27)28-23,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,23H,17-19H2,1H3
InChIKeyIZUUAYYOAIIPNW-UHFFFAOYSA-N
XLogP4.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.42
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]-3,3-diphenyloxolan-2-one?
The IUPAC name of 5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one (CID 10067826) is 5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one.
What is the SMILES notation for 5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one?
The canonical SMILES for 5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one is CN(Cc1ccccc1)CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.
What is the InChIKey of 5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one?
The InChIKey is IZUUAYYOAIIPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-26(18-20-11-5-2-6-12-20)19-23-17-25(24(27)28-23,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,23H,17-19H2,1H3.
What are the key properties of 5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one?
5-[[benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one has a molecular weight of 371.48 g/mol, XLogP of 4.42, 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]-3,3-diphenyloxolan-2-one is sourced from PubChem (CID 10067826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).