4-[1-(dimethylamino)ethyl]-3,3-diphenyloxolan-2-one

C20H23NO2 — CID 140784136

IUPAC4-[1-(dimethylamino)ethyl]-3,3-diphenyloxolan-2-one
SMILESCC(C1COC(=O)C1(c1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C20H23NO2/c1-15(21(2)3)18-14-23-19(22)20(18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18H,14H2,1-3H3
InChIKeyKIJNHTWFMCXCND-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.10
Rot. Bonds4

About 4-[1-(dimethylamino)ethyl]-3,3-diphenyloxolan-2-one

4-[1-(dimethylamino)ethyl]-3,3-diphenyloxolan-2-one (PubChem CID 140784136) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-[1-(dimethylamino)ethyl]-3,3-diphenyloxolan-2-one.

Molecular Properties

Compound Name4-[1-(dimethylamino)ethyl]-3,3-diphenyloxolan-2-one
PubChem CID140784136
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name4-[1-(dimethylamino)ethyl]-3,3-diphenyloxolan-2-one
SMILESCC(C1COC(=O)C1(c1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C20H23NO2/c1-15(21(2)3)18-14-23-19(22)20(18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18H,14H2,1-3H3
InChIKeyKIJNHTWFMCXCND-UHFFFAOYSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,5S)-6,6-dimethyl-1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 131856201
4-methyl-3,3-diphenyloxetan-2-one
CID 87128562
3,3-dichloro-4-[chloro(phenyl)methyl]oxolan-2-one
CID 12957226
3-methyl-3-phenyloxolan-2-one
CID 15937425
(2S,3S)-2-[(1S)-1-(dibenzylamino)ethyl]-5-oxaspiro[2.4]heptan-4-one
CID 100936907
(3R,5S)-5-methyl-3-phenyl-3-propan-2-yloxolan-2-one
CID 11344999
(3aR,7aS)-7a-phenyl-3,3a,4,5,6,7-hexahydro-2-benzofuran-1-one
CID 58954920
4-(chloromethyl)-3,3-diphenyl-1-propan-2-ylpyrrolidin-2-one
CID 12953546
bis((3R,4S)-3-(2-methylpropyl)-4-(4-nitrophenyl)-3-phenyloxolan-2-one);bis((3S,4R)-3-(2-methylpropyl)-4-(4-nitrophenyl)-3-phenyloxolan-2-one)
CID 139092664
3-(2-methylpropyl)-4-(2-nitrophenyl)-3-phenyloxolan-2-one
CID 78152635
(3S,4S)-3-methyl-4-[(1S)-1-phenylprop-2-enyl]-3-prop-2-enyloxolan-2-one
CID 11402622
(4R)-4-(2-hydroxyethyl)-3,3-diphenyl-1-propan-2-ylpyrrolidin-2-one
CID 95560288

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylamino)ethyl]-3,3-diphenyloxolan-2-one?
The IUPAC name of 4-[1-(dimethylamino)ethyl]-3,3-diphenyloxolan-2-one (CID 140784136) is 4-[1-(dimethylamino)ethyl]-3,3-diphenyloxolan-2-one.
What is the SMILES notation for 4-[1-(dimethylamino)ethyl]-3,3-diphenyloxolan-2-one?
The canonical SMILES for 4-[1-(dimethylamino)ethyl]-3,3-diphenyloxolan-2-one is CC(C1COC(=O)C1(c1ccccc1)c1ccccc1)N(C)C.
What is the InChIKey of 4-[1-(dimethylamino)ethyl]-3,3-diphenyloxolan-2-one?
The InChIKey is KIJNHTWFMCXCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15(21(2)3)18-14-23-19(22)20(18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18H,14H2,1-3H3.
What are the key properties of 4-[1-(dimethylamino)ethyl]-3,3-diphenyloxolan-2-one?
4-[1-(dimethylamino)ethyl]-3,3-diphenyloxolan-2-one has a molecular weight of 309.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dimethylamino)ethyl]-3,3-diphenyloxolan-2-one is sourced from PubChem (CID 140784136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).