3-benzyl-3-[3-(dimethylamino)phenyl]oxolan-2-one

C19H21NO2 — CID 101170497

IUPAC3-benzyl-3-[3-(dimethylamino)phenyl]oxolan-2-one
SMILESCN(C)c1cccc(C2(Cc3ccccc3)CCOC2=O)c1
InChIInChI=1S/C19H21NO2/c1-20(2)17-10-6-9-16(13-17)19(11-12-22-18(19)21)14-15-7-4-3-5-8-15/h3-10,13H,11-12,14H2,1-2H3
InChIKeyIVDPAZQFFOJLSF-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.18
Rot. Bonds4

About 3-benzyl-3-[3-(dimethylamino)phenyl]oxolan-2-one

3-benzyl-3-[3-(dimethylamino)phenyl]oxolan-2-one (PubChem CID 101170497) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-benzyl-3-[3-(dimethylamino)phenyl]oxolan-2-one.

Molecular Properties

Compound Name3-benzyl-3-[3-(dimethylamino)phenyl]oxolan-2-one
PubChem CID101170497
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name3-benzyl-3-[3-(dimethylamino)phenyl]oxolan-2-one
SMILESCN(C)c1cccc(C2(Cc3ccccc3)CCOC2=O)c1
InChIInChI=1S/C19H21NO2/c1-20(2)17-10-6-9-16(13-17)19(11-12-22-18(19)21)14-15-7-4-3-5-8-15/h3-10,13H,11-12,14H2,1-2H3
InChIKeyIVDPAZQFFOJLSF-UHFFFAOYSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-benzyl-3-methyloxolan-2-one
CID 10261923
3-(methoxymethyl)-3-phenyloxolan-2-one
CID 68741659
(3S)-3-benzyl-3-[(1S)-1-hydroxyethyl]oxolan-2-one
CID 101174342
3-methyl-3-phenyloxolan-2-one
CID 15937425
3-(1-aminocyclobutyl)-N,N-dimethylaniline
CID 82603640
3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline
CID 82609365
N,N-dimethyl-3-[(N-methylanilino)methyl]aniline
CID 99811191
1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea
CID 110472246
N,N-dimethylaniline;phenylmethanamine
CID 159620878
N,N-dimethylaniline;hydrofluoride
CID 160775229
(3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one
CID 176589467
3-benzyl-3-phenylpyrrolidine-2,5-dione
CID 2843283

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-[3-(dimethylamino)phenyl]oxolan-2-one?
The IUPAC name of 3-benzyl-3-[3-(dimethylamino)phenyl]oxolan-2-one (CID 101170497) is 3-benzyl-3-[3-(dimethylamino)phenyl]oxolan-2-one.
What is the SMILES notation for 3-benzyl-3-[3-(dimethylamino)phenyl]oxolan-2-one?
The canonical SMILES for 3-benzyl-3-[3-(dimethylamino)phenyl]oxolan-2-one is CN(C)c1cccc(C2(Cc3ccccc3)CCOC2=O)c1.
What is the InChIKey of 3-benzyl-3-[3-(dimethylamino)phenyl]oxolan-2-one?
The InChIKey is IVDPAZQFFOJLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-20(2)17-10-6-9-16(13-17)19(11-12-22-18(19)21)14-15-7-4-3-5-8-15/h3-10,13H,11-12,14H2,1-2H3.
What are the key properties of 3-benzyl-3-[3-(dimethylamino)phenyl]oxolan-2-one?
3-benzyl-3-[3-(dimethylamino)phenyl]oxolan-2-one has a molecular weight of 295.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-[3-(dimethylamino)phenyl]oxolan-2-one is sourced from PubChem (CID 101170497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).