3-(2,5-dimethoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one

C22H27NO3 — CID 55888907

IUPAC3-(2,5-dimethoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCOc1ccc(OC)c(CCC(=O)N2CCCC2c2ccccc2C)c1
InChIInChI=1S/C22H27NO3/c1-16-7-4-5-8-19(16)20-9-6-14-23(20)22(24)13-10-17-15-18(25-2)11-12-21(17)26-3/h4-5,7-8,11-12,15,20H,6,9-10,13-14H2,1-3H3
InChIKeyYPJNOZMVANYSBA-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.31
Rot. Bonds6

About 3-(2,5-dimethoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one

3-(2,5-dimethoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 55888907) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
PubChem CID55888907
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name3-(2,5-dimethoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCOc1ccc(OC)c(CCC(=O)N2CCCC2c2ccccc2C)c1
InChIInChI=1S/C22H27NO3/c1-16-7-4-5-8-19(16)20-9-6-14-23(20)22(24)13-10-17-15-18(25-2)11-12-21(17)26-3/h4-5,7-8,11-12,15,20H,6,9-10,13-14H2,1-3H3
InChIKeyYPJNOZMVANYSBA-UHFFFAOYSA-N
XLogP4.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 94627664
3-(2,5-dimethoxyphenyl)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 134047616
2-(5-methoxyindol-1-yl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 55889042
(2R)-1-[3-(2,5-dimethoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372093
1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 55410542
(3,4-dimethoxyphenyl)-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856046
(2,6-dimethoxyphenyl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053428
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one
CID 43048071
1-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 94080739
1-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 99582849
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856038
(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856233

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one (CID 55888907) is 3-(2,5-dimethoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one is COc1ccc(OC)c(CCC(=O)N2CCCC2c2ccccc2C)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is YPJNOZMVANYSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-16-7-4-5-8-19(16)20-9-6-14-23(20)22(24)13-10-17-15-18(25-2)11-12-21(17)26-3/h4-5,7-8,11-12,15,20H,6,9-10,13-14H2,1-3H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one?
3-(2,5-dimethoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 353.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 55888907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).