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

C21H25NO5 — CID 18147684

IUPAC(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC2c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C21H25NO5/c1-24-17-9-7-14(12-19(17)26-3)16-6-5-11-22(16)21(23)15-8-10-18(25-2)20(13-15)27-4/h7-10,12-13,16H,5-6,11H2,1-4H3
InChIKeyNZGDBWJAWZYOQN-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.70
Rot. Bonds6

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

(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 18147684) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID18147684
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC2c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C21H25NO5/c1-24-17-9-7-14(12-19(17)26-3)16-6-5-11-22(16)21(23)15-8-10-18(25-2)20(13-15)27-4/h7-10,12-13,16H,5-6,11H2,1-4H3
InChIKeyNZGDBWJAWZYOQN-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

(3-chloro-4-hydroxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 42938983
[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 42936298
5-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 125145135
[4-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methylurea
CID 42938821
N-[[4-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 18154932
[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 29357961
2-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120974677
(4-butoxy-3-methoxyphenyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 112766788
[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone
CID 94618354
(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46636697
(3,4-dimethoxyphenyl)-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856046
[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 56810913

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone (CID 18147684) is (3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccc(C(=O)N2CCCC2c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is NZGDBWJAWZYOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-24-17-9-7-14(12-19(17)26-3)16-6-5-11-22(16)21(23)15-8-10-18(25-2)20(13-15)27-4/h7-10,12-13,16H,5-6,11H2,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[2-(3,4-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-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 18147684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).