1-[1-[4-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenoxy]propan-2-yl]pyrrolidin-2-one

C26H34N2O3 — CID 173232068

IUPAC1-[1-[4-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenoxy]propan-2-yl]pyrrolidin-2-one
SMILESCC(COc1ccc(Cc2ccccc2OCCN2CCCC2)cc1)N1CCCC1=O
InChIInChI=1S/C26H34N2O3/c1-21(28-16-6-9-26(28)29)20-31-24-12-10-22(11-13-24)19-23-7-2-3-8-25(23)30-18-17-27-14-4-5-15-27/h2-3,7-8,10-13,21H,4-6,9,14-20H2,1H3
InChIKeySLATXZIRFQHLQM-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.14
Rot. Bonds10

About 1-[1-[4-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenoxy]propan-2-yl]pyrrolidin-2-one

1-[1-[4-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenoxy]propan-2-yl]pyrrolidin-2-one (PubChem CID 173232068) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-[1-[4-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenoxy]propan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[4-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenoxy]propan-2-yl]pyrrolidin-2-one
PubChem CID173232068
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name1-[1-[4-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenoxy]propan-2-yl]pyrrolidin-2-one
SMILESCC(COc1ccc(Cc2ccccc2OCCN2CCCC2)cc1)N1CCCC1=O
InChIInChI=1S/C26H34N2O3/c1-21(28-16-6-9-26(28)29)20-31-24-12-10-22(11-13-24)19-23-7-2-3-8-25(23)30-18-17-27-14-4-5-15-27/h2-3,7-8,10-13,21H,4-6,9,14-20H2,1H3
InChIKeySLATXZIRFQHLQM-UHFFFAOYSA-N
XLogP4.14
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[4-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenoxy]propan-2-yl]pyrrolidin-2-one with MolForge

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Related Compounds

3'-[[4-[(2S)-2-(2-oxopyrrolidin-1-yl)propoxy]phenyl]methyl]-2'-[4-(2-pyrrolidin-1-ylethoxy)phenyl]spiro[1,3-dioxa-2λ4-thiacyclopentane-2,1'-1-benzothiophene]-4,5-dione
CID 139912827
ethyl 2-[2-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenoxy]ethylamino]acetate
CID 173292710
oxalic acid;1-[(2R)-1-[4-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophene-3-carbonyl]phenoxy]propan-2-yl]pyrrolidin-2-one
CID 22949460
1-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine
CID 2960969
tert-butyl N-[1-[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]phenoxy]propan-2-yl]carbamate
CID 70195066
1-[2-(2-propylphenoxy)ethyl]pyrrolidine
CID 173254301
1-[2-(2-butylphenoxy)ethyl]piperidine
CID 5129730
1-[2-(2-benzylphenoxy)ethyl]-4-[(2,6-dimethoxyphenyl)methyl]piperazine
CID 139743298
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
N-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 107696192
1-[(2R)-1-(2-benzylphenoxy)propan-2-yl]piperidine;phosphoric acid
CID 76969563

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenoxy]propan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[4-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenoxy]propan-2-yl]pyrrolidin-2-one (CID 173232068) is 1-[1-[4-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenoxy]propan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[4-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenoxy]propan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[4-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenoxy]propan-2-yl]pyrrolidin-2-one is CC(COc1ccc(Cc2ccccc2OCCN2CCCC2)cc1)N1CCCC1=O.
What is the InChIKey of 1-[1-[4-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenoxy]propan-2-yl]pyrrolidin-2-one?
The InChIKey is SLATXZIRFQHLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-21(28-16-6-9-26(28)29)20-31-24-12-10-22(11-13-24)19-23-7-2-3-8-25(23)30-18-17-27-14-4-5-15-27/h2-3,7-8,10-13,21H,4-6,9,14-20H2,1H3.
What are the key properties of 1-[1-[4-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenoxy]propan-2-yl]pyrrolidin-2-one?
1-[1-[4-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenoxy]propan-2-yl]pyrrolidin-2-one has a molecular weight of 422.57 g/mol, XLogP of 4.14, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenoxy]propan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 173232068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).