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

C21H25NO2 — CID 10336323

IUPAC5-[[methyl(propyl)amino]methyl]-3,3-diphenyloxolan-2-one
SMILESCCCN(C)CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1
InChIInChI=1S/C21H25NO2/c1-3-14-22(2)16-19-15-21(20(23)24-19,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19H,3,14-16H2,1-2H3
InChIKeyYSJIHNMERMWQDA-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.63
Rot. Bonds6

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

5-[[methyl(propyl)amino]methyl]-3,3-diphenyloxolan-2-one (PubChem CID 10336323) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 5-[[methyl(propyl)amino]methyl]-3,3-diphenyloxolan-2-one.

Molecular Properties

Compound Name5-[[methyl(propyl)amino]methyl]-3,3-diphenyloxolan-2-one
PubChem CID10336323
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name5-[[methyl(propyl)amino]methyl]-3,3-diphenyloxolan-2-one
SMILESCCCN(C)CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1
InChIInChI=1S/C21H25NO2/c1-3-14-22(2)16-19-15-21(20(23)24-19,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19H,3,14-16H2,1-2H3
InChIKeyYSJIHNMERMWQDA-UHFFFAOYSA-N
XLogP3.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(propyl)amino]methyl]-3,3-diphenyloxolan-2-one?
The IUPAC name of 5-[[methyl(propyl)amino]methyl]-3,3-diphenyloxolan-2-one (CID 10336323) is 5-[[methyl(propyl)amino]methyl]-3,3-diphenyloxolan-2-one.
What is the SMILES notation for 5-[[methyl(propyl)amino]methyl]-3,3-diphenyloxolan-2-one?
The canonical SMILES for 5-[[methyl(propyl)amino]methyl]-3,3-diphenyloxolan-2-one is CCCN(C)CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.
What is the InChIKey of 5-[[methyl(propyl)amino]methyl]-3,3-diphenyloxolan-2-one?
The InChIKey is YSJIHNMERMWQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-3-14-22(2)16-19-15-21(20(23)24-19,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19H,3,14-16H2,1-2H3.
What are the key properties of 5-[[methyl(propyl)amino]methyl]-3,3-diphenyloxolan-2-one?
5-[[methyl(propyl)amino]methyl]-3,3-diphenyloxolan-2-one has a molecular weight of 323.44 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(propyl)amino]methyl]-3,3-diphenyloxolan-2-one is sourced from PubChem (CID 10336323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).