2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone

C24H28N2O5 — CID 178065020

IUPAC2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(Oc2ccc(OCC(=O)N3CCCC3)cc2)cc1)N1CCCC1
InChIInChI=1S/C24H28N2O5/c27-23(25-13-1-2-14-25)17-29-19-5-9-21(10-6-19)31-22-11-7-20(8-12-22)30-18-24(28)26-15-3-4-16-26/h5-12H,1-4,13-18H2
InChIKeyDAVBPKKRUPZSBA-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.48
Rot. Bonds8

About 2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone

2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 178065020) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
PubChem CID178065020
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(Oc2ccc(OCC(=O)N3CCCC3)cc2)cc1)N1CCCC1
InChIInChI=1S/C24H28N2O5/c27-23(25-13-1-2-14-25)17-29-19-5-9-21(10-6-19)31-22-11-7-20(8-12-22)30-18-24(28)26-15-3-4-16-26/h5-12H,1-4,13-18H2
InChIKeyDAVBPKKRUPZSBA-UHFFFAOYSA-N
XLogP3.48
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone
CID 47018240
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
1-pyrrolidin-1-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 71996858
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237
2-(4-bromophenoxy)-1-[4-[2-(4-bromophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 4961230
2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
CID 54908646
2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 170879092
4-[2-(azepan-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 24689917
4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile
CID 2079009

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone (CID 178065020) is 2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone is O=C(COc1ccc(Oc2ccc(OCC(=O)N3CCCC3)cc2)cc1)N1CCCC1.
What is the InChIKey of 2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is DAVBPKKRUPZSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c27-23(25-13-1-2-14-25)17-29-19-5-9-21(10-6-19)31-22-11-7-20(8-12-22)30-18-24(28)26-15-3-4-16-26/h5-12H,1-4,13-18H2.
What are the key properties of 2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone?
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 424.50 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 178065020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).