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

C21H25NO5 — CID 46636697

IUPAC(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)c2ccc(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C21H25NO5/c1-24-15-8-9-16(19(13-15)26-3)17-6-5-11-22(17)21(23)14-7-10-18(25-2)20(12-14)27-4/h7-10,12-13,17H,5-6,11H2,1-4H3
InChIKeyXXTBJMFBHVWEEN-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.70
Rot. Bonds6

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

(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 46636697) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID46636697
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)c2ccc(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C21H25NO5/c1-24-15-8-9-16(19(13-15)26-3)17-6-5-11-22(17)21(23)14-7-10-18(25-2)20(12-14)27-4/h7-10,12-13,17H,5-6,11H2,1-4H3
InChIKeyXXTBJMFBHVWEEN-UHFFFAOYSA-N
XLogP3.70
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone
CID 55456062
[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 27034302
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(4-ethoxy-3-nitrophenyl)methanone
CID 46637064
N-cyclopropyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-methoxybenzenesulfonamide
CID 42045896
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1-ethylbenzotriazol-5-yl)methanone
CID 42886651
(3,4-dimethoxyphenyl)-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856046
[4-(diethylaminomethyl)phenyl]-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46430611
4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide
CID 56545543
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(3-fluorophenyl)methanone
CID 43033960
2-butyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]isoindole-1,3-dione
CID 42026157

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone (CID 46636697) is (3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccc(C2CCCN2C(=O)c2ccc(OC)c(OC)c2)c(OC)c1.
What is the InChIKey of (3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is XXTBJMFBHVWEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-24-15-8-9-16(19(13-15)26-3)17-6-5-11-22(17)21(23)14-7-10-18(25-2)20(12-14)27-4/h7-10,12-13,17H,5-6,11H2,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 371.43 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 46636697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).