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

C18H22N2O5 — CID 121022574

IUPAC3-[[1-[3-(2-ethoxyphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCCOc1ccccc1CCC(=O)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C18H22N2O5/c1-2-24-15-6-4-3-5-14(15)7-8-16(21)19-9-13(10-19)11-20-17(22)12-25-18(20)23/h3-6,13H,2,7-12H2,1H3
InChIKeyMVCKKXHXNNHMTG-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.46
Rot. Bonds7

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

3-[[1-[3-(2-ethoxyphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 121022574) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-[[1-[3-(2-ethoxyphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-[3-(2-ethoxyphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID121022574
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name3-[[1-[3-(2-ethoxyphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCCOc1ccccc1CCC(=O)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C18H22N2O5/c1-2-24-15-6-4-3-5-14(15)7-8-16(21)19-9-13(10-19)11-20-17(22)12-25-18(20)23/h3-6,13H,2,7-12H2,1H3
InChIKeyMVCKKXHXNNHMTG-UHFFFAOYSA-N
XLogP1.46
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-(2-ethoxyphenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43403578
3-[[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274849
4-[1-[3-(2-ethoxyphenyl)propanoyl]azetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155512
3-[[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 119105359
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethoxyphenyl)propan-1-one
CID 134060202
1-(4-acetyl-1,4-diazepan-1-yl)-3-(2-ethoxyphenyl)propan-1-one
CID 134061684
3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81197579
3-[[1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 119105365
N-[2-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidin-1-yl]-2-oxoethyl]benzamide
CID 122274905
3-(2-ethoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one
CID 121154758
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one
CID 121197452
3-(2-ethoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490352

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[3-(2-ethoxyphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[1-[3-(2-ethoxyphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 121022574) is 3-[[1-[3-(2-ethoxyphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-[3-(2-ethoxyphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[1-[3-(2-ethoxyphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is CCOc1ccccc1CCC(=O)N1CC(CN2C(=O)COC2=O)C1.
What is the InChIKey of 3-[[1-[3-(2-ethoxyphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is MVCKKXHXNNHMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-2-24-15-6-4-3-5-14(15)7-8-16(21)19-9-13(10-19)11-20-17(22)12-25-18(20)23/h3-6,13H,2,7-12H2,1H3.
What are the key properties of 3-[[1-[3-(2-ethoxyphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[1-[3-(2-ethoxyphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 346.38 g/mol, XLogP of 1.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[3-(2-ethoxyphenyl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 121022574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).