[4-(4-methoxybenzoyl)-1-methylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone

C21H23NO4 — CID 4601661

IUPAC[4-(4-methoxybenzoyl)-1-methylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CN(C)CC2C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H23NO4/c1-22-12-18(20(23)14-4-8-16(25-2)9-5-14)19(13-22)21(24)15-6-10-17(26-3)11-7-15/h4-11,18-19H,12-13H2,1-3H3
InChIKeyYMWNTSPJWJLIPI-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.95
Rot. Bonds6

About [4-(4-methoxybenzoyl)-1-methylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone

[4-(4-methoxybenzoyl)-1-methylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 4601661) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is [4-(4-methoxybenzoyl)-1-methylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-methoxybenzoyl)-1-methylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone
PubChem CID4601661
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name[4-(4-methoxybenzoyl)-1-methylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CN(C)CC2C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H23NO4/c1-22-12-18(20(23)14-4-8-16(25-2)9-5-14)19(13-22)21(24)15-6-10-17(26-3)11-7-15/h4-11,18-19H,12-13H2,1-3H3
InChIKeyYMWNTSPJWJLIPI-UHFFFAOYSA-N
XLogP2.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxybenzoyl)-1-methylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(4-methoxybenzoyl)-1-methylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone (CID 4601661) is [4-(4-methoxybenzoyl)-1-methylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(4-methoxybenzoyl)-1-methylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(4-methoxybenzoyl)-1-methylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CN(C)CC2C(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of [4-(4-methoxybenzoyl)-1-methylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is YMWNTSPJWJLIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-22-12-18(20(23)14-4-8-16(25-2)9-5-14)19(13-22)21(24)15-6-10-17(26-3)11-7-15/h4-11,18-19H,12-13H2,1-3H3.
What are the key properties of [4-(4-methoxybenzoyl)-1-methylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone?
[4-(4-methoxybenzoyl)-1-methylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 353.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxybenzoyl)-1-methylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 4601661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).