[1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone

C20H21NO3 — CID 110394976

IUPAC[1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC2C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H21NO3/c1-14-5-7-15(8-6-14)19(22)18-4-3-13-21(18)20(23)16-9-11-17(24-2)12-10-16/h5-12,18H,3-4,13H2,1-2H3
InChIKeyVMCISBLJFHNXNV-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.49
Rot. Bonds4

About [1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone

[1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone (PubChem CID 110394976) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is [1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone
PubChem CID110394976
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name[1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC2C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H21NO3/c1-14-5-7-15(8-6-14)19(22)18-4-3-13-21(18)20(23)16-9-11-17(24-2)12-10-16/h5-12,18H,3-4,13H2,1-2H3
InChIKeyVMCISBLJFHNXNV-UHFFFAOYSA-N
XLogP3.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357637
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide
CID 46986685
[1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-(4-methoxyphenyl)methanone
CID 110394905
(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 110394931
(3-ethylazetidin-1-yl)-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone
CID 136547093
ethyl 2-[1-(4-methylbenzoyl)pyrrolidin-2-yl]-2-oxoacetate
CID 54261417
[2-(bromomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 74554954
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 28706941
N-[2-fluoro-4-[(2R)-2-(4-methoxybenzoyl)pyrrolidine-1-carbonyl]phenyl]-3-methylbutanamide
CID 97079437
[1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357636

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone (CID 110394976) is [1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone is COc1ccc(C(=O)N2CCCC2C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of [1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone?
The InChIKey is VMCISBLJFHNXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-14-5-7-15(8-6-14)19(22)18-4-3-13-21(18)20(23)16-9-11-17(24-2)12-10-16/h5-12,18H,3-4,13H2,1-2H3.
What are the key properties of [1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone?
[1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone has a molecular weight of 323.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 110394976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).