(3S)-3-(4-methoxybenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one

C20H21NO4 — CID 130404559

IUPAC(3S)-3-(4-methoxybenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one
SMILESCOc1ccc(C(=O)[C@]2(C)CCN(c3ccccc3OC)C2=O)cc1
InChIInChI=1S/C20H21NO4/c1-20(18(22)14-8-10-15(24-2)11-9-14)12-13-21(19(20)23)16-6-4-5-7-17(16)25-3/h4-11H,12-13H2,1-3H3/t20-/m0/s1
InChIKeyRUFADJCJHMUKQH-FQEVSTJZSA-N
MW339.39 g/mol
LogP3.33
Rot. Bonds5

About (3S)-3-(4-methoxybenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one

(3S)-3-(4-methoxybenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one (PubChem CID 130404559) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (3S)-3-(4-methoxybenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-(4-methoxybenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one
PubChem CID130404559
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(3S)-3-(4-methoxybenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one
SMILESCOc1ccc(C(=O)[C@]2(C)CCN(c3ccccc3OC)C2=O)cc1
InChIInChI=1S/C20H21NO4/c1-20(18(22)14-8-10-15(24-2)11-9-14)12-13-21(19(20)23)16-6-4-5-7-17(16)25-3/h4-11H,12-13H2,1-3H3/t20-/m0/s1
InChIKeyRUFADJCJHMUKQH-FQEVSTJZSA-N
XLogP3.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyphenyl)-3-methyl-3-(naphthalene-2-carbonyl)pyrrolidin-2-one
CID 130404557
3-(4-fluorobenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 130404550
(3S)-3-(4-fluorobenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 130404548
(3S)-3-benzoyl-3-methyl-1-(2-propoxyphenyl)pyrrolidin-2-one
CID 130415390
(3S)-3-[(E)-but-2-enyl]-1-(2-methoxyphenyl)-3-(4-methylbenzoyl)pyrrolidin-2-one
CID 130404538
1-(2-methoxyphenyl)-3-(4-methylbenzoyl)-3-[3-(4-methylphenyl)prop-2-enyl]pyrrolidin-2-one
CID 130404571
1-(4-methoxyphenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
CID 761172
(3S)-3-[anilino(phenyl)methyl]-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 130404541
[1-(4-methoxyphenyl)-3-methyl-2-oxopyrrolidin-3-yl] benzoate
CID 130404562
(4-methoxyphenyl) (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057175
1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016937
10-(2-methoxyphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64956352

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methoxybenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one?
The IUPAC name of (3S)-3-(4-methoxybenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one (CID 130404559) is (3S)-3-(4-methoxybenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-(4-methoxybenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-(4-methoxybenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one is COc1ccc(C(=O)[C@]2(C)CCN(c3ccccc3OC)C2=O)cc1.
What is the InChIKey of (3S)-3-(4-methoxybenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one?
The InChIKey is RUFADJCJHMUKQH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21NO4/c1-20(18(22)14-8-10-15(24-2)11-9-14)12-13-21(19(20)23)16-6-4-5-7-17(16)25-3/h4-11H,12-13H2,1-3H3/t20-/m0/s1.
What are the key properties of (3S)-3-(4-methoxybenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one?
(3S)-3-(4-methoxybenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one has a molecular weight of 339.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methoxybenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one is sourced from PubChem (CID 130404559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).