1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone

C17H17NO3 — CID 47018240

IUPAC1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone
SMILESO=C(COc1ccc(Oc2ccccc2)cc1)N1CCC1
InChIInChI=1S/C17H17NO3/c19-17(18-11-4-12-18)13-20-14-7-9-16(10-8-14)21-15-5-2-1-3-6-15/h1-3,5-10H,4,11-13H2
InChIKeyMYODVNDLZTZUBT-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.09
Rot. Bonds5

About 1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone

1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone (PubChem CID 47018240) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone
PubChem CID47018240
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone
SMILESO=C(COc1ccc(Oc2ccccc2)cc1)N1CCC1
InChIInChI=1S/C17H17NO3/c19-17(18-11-4-12-18)13-20-14-7-9-16(10-8-14)21-15-5-2-1-3-6-15/h1-3,5-10H,4,11-13H2
InChIKeyMYODVNDLZTZUBT-UHFFFAOYSA-N
XLogP3.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone
CID 113079212
3,3-dimethyl-1-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]butan-1-one
CID 110798749
1-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110798222
2-oxo-2-[4-[2-(4-phenoxyphenoxy)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55493171
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
2-(2-methoxyethoxy)-1-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 108547727
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110797836
1-[4-[2-(4-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 108547509
1-[4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 108547297
2-(4-bromophenoxy)-1-[4-[2-(4-bromophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 4961230

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone (CID 47018240) is 1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone is O=C(COc1ccc(Oc2ccccc2)cc1)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone?
The InChIKey is MYODVNDLZTZUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-17(18-11-4-12-18)13-20-14-7-9-16(10-8-14)21-15-5-2-1-3-6-15/h1-3,5-10H,4,11-13H2.
What are the key properties of 1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone?
1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone has a molecular weight of 283.33 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone is sourced from PubChem (CID 47018240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).