3-(2,5-dimethoxyphenyl)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]propan-1-one

C23H29NO4 — CID 134047616

IUPAC3-(2,5-dimethoxyphenyl)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCCOc1ccc(C2CCCN2C(=O)CCc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C23H29NO4/c1-4-28-19-10-7-17(8-11-19)21-6-5-15-24(21)23(25)14-9-18-16-20(26-2)12-13-22(18)27-3/h7-8,10-13,16,21H,4-6,9,14-15H2,1-3H3
InChIKeyFSQYCHKFSMTACI-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.40
Rot. Bonds8

About 3-(2,5-dimethoxyphenyl)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]propan-1-one

3-(2,5-dimethoxyphenyl)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 134047616) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]propan-1-one
PubChem CID134047616
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name3-(2,5-dimethoxyphenyl)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCCOc1ccc(C2CCCN2C(=O)CCc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C23H29NO4/c1-4-28-19-10-7-17(8-11-19)21-6-5-15-24(21)23(25)14-9-18-16-20(26-2)12-13-22(18)27-3/h7-8,10-13,16,21H,4-6,9,14-15H2,1-3H3
InChIKeyFSQYCHKFSMTACI-UHFFFAOYSA-N
XLogP4.40
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
3-(2,5-dimethoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 55888907
(2R)-1-[3-(2,5-dimethoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372093
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-ethoxyphenoxy)ethanone
CID 46636671
(3-bromo-4-methoxyphenyl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46421562
3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 46421185
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 34737061
1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 94457866
1-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 94080642
2-(4-acetyl-2-methoxyphenoxy)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 42907649
3-(3,5-dimethoxyphenyl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propan-1-one
CID 31797364
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 110899355

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]propan-1-one (CID 134047616) is 3-(2,5-dimethoxyphenyl)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]propan-1-one is CCOc1ccc(C2CCCN2C(=O)CCc2cc(OC)ccc2OC)cc1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is FSQYCHKFSMTACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-4-28-19-10-7-17(8-11-19)21-6-5-15-24(21)23(25)14-9-18-16-20(26-2)12-13-22(18)27-3/h7-8,10-13,16,21H,4-6,9,14-15H2,1-3H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]propan-1-one?
3-(2,5-dimethoxyphenyl)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 383.49 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 134047616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).