2-N-(2,4-dimethoxyphenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide

C21H25N3O4 — CID 3230202

IUPAC2-N-(2,4-dimethoxyphenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2C(=O)Nc2cccc(C)c2)c(OC)c1
InChIInChI=1S/C21H25N3O4/c1-14-6-4-7-15(12-14)22-21(26)24-11-5-8-18(24)20(25)23-17-10-9-16(27-2)13-19(17)28-3/h4,6-7,9-10,12-13,18H,5,8,11H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyOKIPWUQWAZXHQO-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.65
Rot. Bonds5

About 2-N-(2,4-dimethoxyphenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide

2-N-(2,4-dimethoxyphenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3230202) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-N-(2,4-dimethoxyphenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,4-dimethoxyphenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3230202
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-N-(2,4-dimethoxyphenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2C(=O)Nc2cccc(C)c2)c(OC)c1
InChIInChI=1S/C21H25N3O4/c1-14-6-4-7-15(12-14)22-21(26)24-11-5-8-18(24)20(25)23-17-10-9-16(27-2)13-19(17)28-3/h4,6-7,9-10,12-13,18H,5,8,11H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyOKIPWUQWAZXHQO-UHFFFAOYSA-N
XLogP3.65
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468706
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
1-N-(2-methoxyphenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219712
2-N-(2-methoxy-5-methylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 43814288
1-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219782
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717
(2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1442935
2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3697683
1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3230204
(2R)-1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 1442922
(2R)-2-N-(4-fluorophenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468879

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethoxyphenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(2,4-dimethoxyphenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide (CID 3230202) is 2-N-(2,4-dimethoxyphenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2,4-dimethoxyphenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2,4-dimethoxyphenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide is COc1ccc(NC(=O)C2CCCN2C(=O)Nc2cccc(C)c2)c(OC)c1.
What is the InChIKey of 2-N-(2,4-dimethoxyphenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is OKIPWUQWAZXHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14-6-4-7-15(12-14)22-21(26)24-11-5-8-18(24)20(25)23-17-10-9-16(27-2)13-19(17)28-3/h4,6-7,9-10,12-13,18H,5,8,11H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 2-N-(2,4-dimethoxyphenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
2-N-(2,4-dimethoxyphenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethoxyphenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).