[1-(4-methoxyphenyl)-3-methyl-2-oxopyrrolidin-3-yl] benzoate

C19H19NO4 — CID 130404562

IUPAC[1-(4-methoxyphenyl)-3-methyl-2-oxopyrrolidin-3-yl] benzoate
SMILESCOc1ccc(N2CCC(C)(OC(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H19NO4/c1-19(24-17(21)14-6-4-3-5-7-14)12-13-20(18(19)22)15-8-10-16(23-2)11-9-15/h3-11H,12-13H2,1-2H3
InChIKeyYKAZOJFGTJOMLD-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.05
Rot. Bonds4

About [1-(4-methoxyphenyl)-3-methyl-2-oxopyrrolidin-3-yl] benzoate

[1-(4-methoxyphenyl)-3-methyl-2-oxopyrrolidin-3-yl] benzoate (PubChem CID 130404562) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-3-methyl-2-oxopyrrolidin-3-yl] benzoate.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-3-methyl-2-oxopyrrolidin-3-yl] benzoate
PubChem CID130404562
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[1-(4-methoxyphenyl)-3-methyl-2-oxopyrrolidin-3-yl] benzoate
SMILESCOc1ccc(N2CCC(C)(OC(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H19NO4/c1-19(24-17(21)14-6-4-3-5-7-14)12-13-20(18(19)22)15-8-10-16(23-2)11-9-15/h3-11H,12-13H2,1-2H3
InChIKeyYKAZOJFGTJOMLD-UHFFFAOYSA-N
XLogP3.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-methoxyphenyl)-3-methyl-3-(4-phenylphenyl)pyrrolidin-2-one
CID 155071218
[1-(4-fluorophenyl)-3-methyl-2-oxopyrrolidin-3-yl] acetate
CID 174592654
(3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one
CID 155071229
1-(4-benzoylphenyl)-3,3-dimethylpyrrolidin-2-one
CID 10334584
8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one
CID 52911976
3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one
CID 166437081
(1-methylcyclopropyl) benzoate
CID 14416714
(3S)-3-(4-methoxybenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 130404559
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
[1-[(4-methoxyphenyl)methyl]-3-methyl-2-oxopyrrolidin-3-yl] carbamate
CID 175141193
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638072

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-3-methyl-2-oxopyrrolidin-3-yl] benzoate?
The IUPAC name of [1-(4-methoxyphenyl)-3-methyl-2-oxopyrrolidin-3-yl] benzoate (CID 130404562) is [1-(4-methoxyphenyl)-3-methyl-2-oxopyrrolidin-3-yl] benzoate.
What is the SMILES notation for [1-(4-methoxyphenyl)-3-methyl-2-oxopyrrolidin-3-yl] benzoate?
The canonical SMILES for [1-(4-methoxyphenyl)-3-methyl-2-oxopyrrolidin-3-yl] benzoate is COc1ccc(N2CCC(C)(OC(=O)c3ccccc3)C2=O)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-3-methyl-2-oxopyrrolidin-3-yl] benzoate?
The InChIKey is YKAZOJFGTJOMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-19(24-17(21)14-6-4-3-5-7-14)12-13-20(18(19)22)15-8-10-16(23-2)11-9-15/h3-11H,12-13H2,1-2H3.
What are the key properties of [1-(4-methoxyphenyl)-3-methyl-2-oxopyrrolidin-3-yl] benzoate?
[1-(4-methoxyphenyl)-3-methyl-2-oxopyrrolidin-3-yl] benzoate has a molecular weight of 325.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-3-methyl-2-oxopyrrolidin-3-yl] benzoate is sourced from PubChem (CID 130404562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).