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

C26H27NO2 — CID 10249509

IUPAC5-[[methyl(2-phenylethyl)amino]methyl]-3,3-diphenyloxolan-2-one
SMILESCN(CCc1ccccc1)CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1
InChIInChI=1S/C26H27NO2/c1-27(18-17-21-11-5-2-6-12-21)20-24-19-26(25(28)29-24,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24H,17-20H2,1H3
InChIKeyDPVWHNMPIGSQMD-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.46
Rot. Bonds7

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

5-[[methyl(2-phenylethyl)amino]methyl]-3,3-diphenyloxolan-2-one (PubChem CID 10249509) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 5-[[methyl(2-phenylethyl)amino]methyl]-3,3-diphenyloxolan-2-one.

Molecular Properties

Compound Name5-[[methyl(2-phenylethyl)amino]methyl]-3,3-diphenyloxolan-2-one
PubChem CID10249509
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name5-[[methyl(2-phenylethyl)amino]methyl]-3,3-diphenyloxolan-2-one
SMILESCN(CCc1ccccc1)CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1
InChIInChI=1S/C26H27NO2/c1-27(18-17-21-11-5-2-6-12-21)20-24-19-26(25(28)29-24,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24H,17-20H2,1H3
InChIKeyDPVWHNMPIGSQMD-UHFFFAOYSA-N
XLogP4.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(2-phenylethyl)amino]methyl]-3,3-diphenyloxolan-2-one?
The IUPAC name of 5-[[methyl(2-phenylethyl)amino]methyl]-3,3-diphenyloxolan-2-one (CID 10249509) is 5-[[methyl(2-phenylethyl)amino]methyl]-3,3-diphenyloxolan-2-one.
What is the SMILES notation for 5-[[methyl(2-phenylethyl)amino]methyl]-3,3-diphenyloxolan-2-one?
The canonical SMILES for 5-[[methyl(2-phenylethyl)amino]methyl]-3,3-diphenyloxolan-2-one is CN(CCc1ccccc1)CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.
What is the InChIKey of 5-[[methyl(2-phenylethyl)amino]methyl]-3,3-diphenyloxolan-2-one?
The InChIKey is DPVWHNMPIGSQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2/c1-27(18-17-21-11-5-2-6-12-21)20-24-19-26(25(28)29-24,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24H,17-20H2,1H3.
What are the key properties of 5-[[methyl(2-phenylethyl)amino]methyl]-3,3-diphenyloxolan-2-one?
5-[[methyl(2-phenylethyl)amino]methyl]-3,3-diphenyloxolan-2-one has a molecular weight of 385.51 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(2-phenylethyl)amino]methyl]-3,3-diphenyloxolan-2-one is sourced from PubChem (CID 10249509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).