3-[[1-[3-(3,4-dimethylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

C18H22N2O4 — CID 119105357

IUPAC3-[[1-[3-(3,4-dimethylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCc1ccc(CCC(=O)N2CC(CN3C(=O)COC3=O)C2)cc1C
InChIInChI=1S/C18H22N2O4/c1-12-3-4-14(7-13(12)2)5-6-16(21)19-8-15(9-19)10-20-17(22)11-24-18(20)23/h3-4,7,15H,5-6,8-11H2,1-2H3
InChIKeyGCMQSHSZJGLSFK-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.67
Rot. Bonds5

About 3-[[1-[3-(3,4-dimethylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

3-[[1-[3-(3,4-dimethylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 119105357) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-[[1-[3-(3,4-dimethylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-[3-(3,4-dimethylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID119105357
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-[[1-[3-(3,4-dimethylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCc1ccc(CCC(=O)N2CC(CN3C(=O)COC3=O)C2)cc1C
InChIInChI=1S/C18H22N2O4/c1-12-3-4-14(7-13(12)2)5-6-16(21)19-8-15(9-19)10-20-17(22)11-24-18(20)23/h3-4,7,15H,5-6,8-11H2,1-2H3
InChIKeyGCMQSHSZJGLSFK-UHFFFAOYSA-N
XLogP1.67
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[1-[3-(3,4-dimethylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[3-(3,4-dimethylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[1-[3-(3,4-dimethylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 119105357) is 3-[[1-[3-(3,4-dimethylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-[3-(3,4-dimethylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[1-[3-(3,4-dimethylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is Cc1ccc(CCC(=O)N2CC(CN3C(=O)COC3=O)C2)cc1C.
What is the InChIKey of 3-[[1-[3-(3,4-dimethylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is GCMQSHSZJGLSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12-3-4-14(7-13(12)2)5-6-16(21)19-8-15(9-19)10-20-17(22)11-24-18(20)23/h3-4,7,15H,5-6,8-11H2,1-2H3.
What are the key properties of 3-[[1-[3-(3,4-dimethylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[1-[3-(3,4-dimethylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 330.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[3-(3,4-dimethylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 119105357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).