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

C20H24N2O4 — CID 51856174

IUPAC(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H24N2O4/c1-24-16-9-6-14(7-10-16)17-5-4-12-22(17)20(23)21-15-8-11-18(25-2)19(13-15)26-3/h6-11,13,17H,4-5,12H2,1-3H3,(H,21,23)/t17-/m1/s1
InChIKeyQAVBALTWOHIBNP-QGZVFWFLSA-N
MW356.42 g/mol
LogP4.08
Rot. Bonds5

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

(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 51856174) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID51856174
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H24N2O4/c1-24-16-9-6-14(7-10-16)17-5-4-12-22(17)20(23)21-15-8-11-18(25-2)19(13-15)26-3/h6-11,13,17H,4-5,12H2,1-3H3,(H,21,23)/t17-/m1/s1
InChIKeyQAVBALTWOHIBNP-QGZVFWFLSA-N
XLogP4.08
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide (CID 51856174) is (2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide is COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of (2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is QAVBALTWOHIBNP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-24-16-9-6-14(7-10-16)17-5-4-12-22(17)20(23)21-15-8-11-18(25-2)19(13-15)26-3/h6-11,13,17H,4-5,12H2,1-3H3,(H,21,23)/t17-/m1/s1.
What are the key properties of (2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 51856174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).