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

C23H29NO2 — CID 10473164

IUPAC5-[(dipropylamino)methyl]-3,3-diphenyloxolan-2-one
SMILESCCCN(CCC)CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1
InChIInChI=1S/C23H29NO2/c1-3-15-24(16-4-2)18-21-17-23(22(25)26-21,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,21H,3-4,15-18H2,1-2H3
InChIKeyGBBZZILPRQEJTL-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.41
Rot. Bonds8

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

5-[(dipropylamino)methyl]-3,3-diphenyloxolan-2-one (PubChem CID 10473164) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 5-[(dipropylamino)methyl]-3,3-diphenyloxolan-2-one.

Molecular Properties

Compound Name5-[(dipropylamino)methyl]-3,3-diphenyloxolan-2-one
PubChem CID10473164
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name5-[(dipropylamino)methyl]-3,3-diphenyloxolan-2-one
SMILESCCCN(CCC)CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1
InChIInChI=1S/C23H29NO2/c1-3-15-24(16-4-2)18-21-17-23(22(25)26-21,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,21H,3-4,15-18H2,1-2H3
InChIKeyGBBZZILPRQEJTL-UHFFFAOYSA-N
XLogP4.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(dipropylamino)methyl]-3,3-diphenyloxolan-2-one?
The IUPAC name of 5-[(dipropylamino)methyl]-3,3-diphenyloxolan-2-one (CID 10473164) is 5-[(dipropylamino)methyl]-3,3-diphenyloxolan-2-one.
What is the SMILES notation for 5-[(dipropylamino)methyl]-3,3-diphenyloxolan-2-one?
The canonical SMILES for 5-[(dipropylamino)methyl]-3,3-diphenyloxolan-2-one is CCCN(CCC)CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.
What is the InChIKey of 5-[(dipropylamino)methyl]-3,3-diphenyloxolan-2-one?
The InChIKey is GBBZZILPRQEJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-3-15-24(16-4-2)18-21-17-23(22(25)26-21,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,21H,3-4,15-18H2,1-2H3.
What are the key properties of 5-[(dipropylamino)methyl]-3,3-diphenyloxolan-2-one?
5-[(dipropylamino)methyl]-3,3-diphenyloxolan-2-one has a molecular weight of 351.49 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dipropylamino)methyl]-3,3-diphenyloxolan-2-one is sourced from PubChem (CID 10473164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).