5-ethoxy-1-(2-phenyl-3-phenylmethoxypropyl)pyrrolidin-2-one

C22H27NO3 — CID 10760541

IUPAC5-ethoxy-1-(2-phenyl-3-phenylmethoxypropyl)pyrrolidin-2-one
SMILESCCOC1CCC(=O)N1CC(COCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3/c1-2-26-22-14-13-21(24)23(22)15-20(19-11-7-4-8-12-19)17-25-16-18-9-5-3-6-10-18/h3-12,20,22H,2,13-17H2,1H3
InChIKeyQGKNWLJLMAMAHZ-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.97
Rot. Bonds9

About 5-ethoxy-1-(2-phenyl-3-phenylmethoxypropyl)pyrrolidin-2-one

5-ethoxy-1-(2-phenyl-3-phenylmethoxypropyl)pyrrolidin-2-one (PubChem CID 10760541) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 5-ethoxy-1-(2-phenyl-3-phenylmethoxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-ethoxy-1-(2-phenyl-3-phenylmethoxypropyl)pyrrolidin-2-one
PubChem CID10760541
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name5-ethoxy-1-(2-phenyl-3-phenylmethoxypropyl)pyrrolidin-2-one
SMILESCCOC1CCC(=O)N1CC(COCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3/c1-2-26-22-14-13-21(24)23(22)15-20(19-11-7-4-8-12-19)17-25-16-18-9-5-3-6-10-18/h3-12,20,22H,2,13-17H2,1H3
InChIKeyQGKNWLJLMAMAHZ-UHFFFAOYSA-N
XLogP3.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(2R)-2-phenyl-3-phenylmethoxypropyl]pyrrolidin-2-one
CID 118420758
N-ethyl-2-phenyl-3-phenylmethoxypropan-1-amine
CID 102940555
1-(2-bromoethyl)-5-ethoxypyrrolidin-2-one
CID 13048223
3-ethyl-1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-one
CID 114509037
ethyl (2R,3R)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate
CID 100958275
ethyl (2S,3S)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate
CID 100958276
ethyl (2R,3S)-1-benzyl-3-hydroxy-6-oxopiperidine-2-carboxylate
CID 11780817
(5S)-5-[(1R)-1-iodo-2-phenylmethoxyethyl]oxolan-2-one
CID 11382390
ethyl (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]-5-oxopyrrolidine-2-carboxylate
CID 11281941
(5S,6S)-6-ethyl-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one
CID 102479868
benzyl 2-[(2R)-2-ethoxy-4-oxoazetidin-1-yl]acetate
CID 101002438
(1R,2R,3R,8R,8aS)-8-hydroxy-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10505136

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-(2-phenyl-3-phenylmethoxypropyl)pyrrolidin-2-one?
The IUPAC name of 5-ethoxy-1-(2-phenyl-3-phenylmethoxypropyl)pyrrolidin-2-one (CID 10760541) is 5-ethoxy-1-(2-phenyl-3-phenylmethoxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-ethoxy-1-(2-phenyl-3-phenylmethoxypropyl)pyrrolidin-2-one?
The canonical SMILES for 5-ethoxy-1-(2-phenyl-3-phenylmethoxypropyl)pyrrolidin-2-one is CCOC1CCC(=O)N1CC(COCc1ccccc1)c1ccccc1.
What is the InChIKey of 5-ethoxy-1-(2-phenyl-3-phenylmethoxypropyl)pyrrolidin-2-one?
The InChIKey is QGKNWLJLMAMAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-2-26-22-14-13-21(24)23(22)15-20(19-11-7-4-8-12-19)17-25-16-18-9-5-3-6-10-18/h3-12,20,22H,2,13-17H2,1H3.
What are the key properties of 5-ethoxy-1-(2-phenyl-3-phenylmethoxypropyl)pyrrolidin-2-one?
5-ethoxy-1-(2-phenyl-3-phenylmethoxypropyl)pyrrolidin-2-one has a molecular weight of 353.46 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-(2-phenyl-3-phenylmethoxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 10760541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).