3-benzyl-5-ethyl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

C21H25NO2 — CID 154994700

IUPAC3-benzyl-5-ethyl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCCC1CC(Cc2ccccc2)C(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C21H25NO2/c1-3-19-14-18(13-16-7-5-4-6-8-16)21(23)22(19)15-17-9-11-20(24-2)12-10-17/h4-12,18-19H,3,13-15H2,1-2H3
InChIKeyXXVKZXZXLVMYFM-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.07
Rot. Bonds6

About 3-benzyl-5-ethyl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

3-benzyl-5-ethyl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 154994700) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-benzyl-5-ethyl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-benzyl-5-ethyl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID154994700
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name3-benzyl-5-ethyl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCCC1CC(Cc2ccccc2)C(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C21H25NO2/c1-3-19-14-18(13-16-7-5-4-6-8-16)21(23)22(19)15-17-9-11-20(24-2)12-10-17/h4-12,18-19H,3,13-15H2,1-2H3
InChIKeyXXVKZXZXLVMYFM-UHFFFAOYSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 2176488
methyl (2S,4R)-1,4-dibenzyl-5-oxopyrrolidine-2-carboxylate
CID 15432229
(4S,5R)-1-benzyl-4-hydroxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 134850808
3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione
CID 171320911
(3R,4S,5R)-1-benzyl-3,4-dihydroxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 10881978
(4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one
CID 134850809
(3S,5R)-1-benzyl-5-ethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
CID 59951644
8-benzyl-9-[(4-methoxyphenyl)methyl]-6-oxa-9-azaspiro[4.5]decan-10-one
CID 23243460
(5R,6S)-1,3,5-tribenzyl-6-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
CID 166443703
(3R,6S)-6-benzyl-1-[(4-methoxyphenyl)methyl]-3-(sulfanylmethyl)piperazine-2,5-dione
CID 10809178
(3S)-3-benzyl-4-[(4-methoxyphenyl)methyl]-1-oxa-4-azaspiro[5.5]undecan-5-one
CID 10872588
(5S,6S)-6-ethyl-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one
CID 102479868

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-ethyl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-benzyl-5-ethyl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (CID 154994700) is 3-benzyl-5-ethyl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-benzyl-5-ethyl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-benzyl-5-ethyl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is CCC1CC(Cc2ccccc2)C(=O)N1Cc1ccc(OC)cc1.
What is the InChIKey of 3-benzyl-5-ethyl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is XXVKZXZXLVMYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-3-19-14-18(13-16-7-5-4-6-8-16)21(23)22(19)15-17-9-11-20(24-2)12-10-17/h4-12,18-19H,3,13-15H2,1-2H3.
What are the key properties of 3-benzyl-5-ethyl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
3-benzyl-5-ethyl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 323.44 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-ethyl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 154994700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).