2-[1-(3,4-dimethoxyphenyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone

C21H25NO4 — CID 141157601

IUPAC2-[1-(3,4-dimethoxyphenyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CC2CCCN2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H25NO4/c1-24-18-9-6-15(7-10-18)19(23)13-16-5-4-12-22(16)17-8-11-20(25-2)21(14-17)26-3/h6-11,14,16H,4-5,12-13H2,1-3H3
InChIKeyVHTVDCJEXNDBQV-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.95
Rot. Bonds7

About 2-[1-(3,4-dimethoxyphenyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone

2-[1-(3,4-dimethoxyphenyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone (PubChem CID 141157601) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-[1-(3,4-dimethoxyphenyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[1-(3,4-dimethoxyphenyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone
PubChem CID141157601
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name2-[1-(3,4-dimethoxyphenyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CC2CCCN2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H25NO4/c1-24-18-9-6-15(7-10-18)19(23)13-16-5-4-12-22(16)17-8-11-20(25-2)21(14-17)26-3/h6-11,14,16H,4-5,12-13H2,1-3H3
InChIKeyVHTVDCJEXNDBQV-UHFFFAOYSA-N
XLogP3.95
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-[1-(3,4-dimethoxyphenyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone 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

2-[(2R)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-2-yl]-1-(4-methoxyphenyl)ethanone
CID 70676957
[1-(3,4-dimethoxyphenyl)piperidin-2-yl]methanol
CID 117028012
1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone;hydrochloride
CID 45048917
tert-butyl 2-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-1-carboxylate
CID 103724026
2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol
CID 117028550
deuteriomethyl 2-[1-(3,5-dimethoxyphenyl)pyrrolidin-2-yl]acetate
CID 22827886
[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63753428
2-benzyl-1-(3,4-dimethoxyphenyl)piperidin-3-ol
CID 70094262
(2S)-1-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 90114938
2-[(1S,2R)-2-hydroxycyclopentyl]-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]ethanone
CID 160718858
1-(3,4-dimethoxybenzoyl)pyrrolidine-2-carbaldehyde
CID 74552344
4-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylbenzamide
CID 113284599

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethoxyphenyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[1-(3,4-dimethoxyphenyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone (CID 141157601) is 2-[1-(3,4-dimethoxyphenyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[1-(3,4-dimethoxyphenyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[1-(3,4-dimethoxyphenyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CC2CCCN2c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-[1-(3,4-dimethoxyphenyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone?
The InChIKey is VHTVDCJEXNDBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-24-18-9-6-15(7-10-18)19(23)13-16-5-4-12-22(16)17-8-11-20(25-2)21(14-17)26-3/h6-11,14,16H,4-5,12-13H2,1-3H3.
What are the key properties of 2-[1-(3,4-dimethoxyphenyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone?
2-[1-(3,4-dimethoxyphenyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone has a molecular weight of 355.43 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethoxyphenyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 141157601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).