2-[2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one

C20H26N2O4 — CID 72889863

IUPAC2-[2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one
SMILESCOc1ccccc1OC1CN(C(=O)CN2CC3(CCCC3)CC2=O)C1
InChIInChI=1S/C20H26N2O4/c1-25-16-6-2-3-7-17(16)26-15-11-21(12-15)19(24)13-22-14-20(10-18(22)23)8-4-5-9-20/h2-3,6-7,15H,4-5,8-14H2,1H3
InChIKeyDYVRWHOEIITJCB-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.08
Rot. Bonds5

About 2-[2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one

2-[2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one (PubChem CID 72889863) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2-[2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one
PubChem CID72889863
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name2-[2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one
SMILESCOc1ccccc1OC1CN(C(=O)CN2CC3(CCCC3)CC2=O)C1
InChIInChI=1S/C20H26N2O4/c1-25-16-6-2-3-7-17(16)26-15-11-21(12-15)19(24)13-22-14-20(10-18(22)23)8-4-5-9-20/h2-3,6-7,15H,4-5,8-14H2,1H3
InChIKeyDYVRWHOEIITJCB-UHFFFAOYSA-N
XLogP2.08
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one with MolForge

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Related Compounds

2-[(3R)-3-hydroxypiperidin-1-yl]-1-[3-(2-methoxyphenoxy)azetidin-1-yl]ethanone
CID 97195950
2-[(3S)-3-hydroxypiperidin-1-yl]-1-[3-(2-methoxyphenoxy)azetidin-1-yl]ethanone
CID 97195949
2-[2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one
CID 72858406
4-cyclopropyl-4-methyl-1-[2-oxo-2-(3-phenoxyazetidin-1-yl)ethyl]pyrrolidin-2-one
CID 72862539
2-(3-oxo-2-azaspiro[4.4]nonan-2-yl)acetamide
CID 23336694
1-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 70750405
2-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-8-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 72861677
2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 97149104
(4R)-1-[2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 97274809
2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
N-(2-cyclohexylethyl)-3-(2-methoxyphenoxy)azetidine-1-carboxamide
CID 122564875
5-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]-1H-pyrazin-2-one
CID 86285870

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one?
The IUPAC name of 2-[2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one (CID 72889863) is 2-[2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one.
What is the SMILES notation for 2-[2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one?
The canonical SMILES for 2-[2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one is COc1ccccc1OC1CN(C(=O)CN2CC3(CCCC3)CC2=O)C1.
What is the InChIKey of 2-[2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one?
The InChIKey is DYVRWHOEIITJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-25-16-6-2-3-7-17(16)26-15-11-21(12-15)19(24)13-22-14-20(10-18(22)23)8-4-5-9-20/h2-3,6-7,15H,4-5,8-14H2,1H3.
What are the key properties of 2-[2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one?
2-[2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one has a molecular weight of 358.44 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one is sourced from PubChem (CID 72889863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).