2-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide

C21H26N2O3 — CID 4105571

IUPAC2-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)Nc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C21H26N2O3/c1-14-7-9-17(12-15(14)2)22-21(24)23-11-5-6-18(23)16-8-10-19(25-3)20(13-16)26-4/h7-10,12-13,18H,5-6,11H2,1-4H3,(H,22,24)
InChIKeyARWCZZOHRBHEQO-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.69
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide

2-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide (PubChem CID 4105571) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
PubChem CID4105571
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)Nc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C21H26N2O3/c1-14-7-9-17(12-15(14)2)22-21(24)23-11-5-6-18(23)16-8-10-19(25-3)20(13-16)26-4/h7-10,12-13,18H,5-6,11H2,1-4H3,(H,22,24)
InChIKeyARWCZZOHRBHEQO-UHFFFAOYSA-N
XLogP4.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide (CID 4105571) is 2-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide is COc1ccc(C2CCCN2C(=O)Nc2ccc(C)c(C)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is ARWCZZOHRBHEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14-7-9-17(12-15(14)2)22-21(24)23-11-5-6-18(23)16-8-10-19(25-3)20(13-16)26-4/h7-10,12-13,18H,5-6,11H2,1-4H3,(H,22,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide?
2-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 4105571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).