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

C21H24N4O3 — CID 650709

IUPAC2-N-(3-acetamidophenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C21H24N4O3/c1-14-8-10-16(11-9-14)24-21(28)25-12-4-7-19(25)20(27)23-18-6-3-5-17(13-18)22-15(2)26/h3,5-6,8-11,13,19H,4,7,12H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyVARDJHYZPHXUPT-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.59
Rot. Bonds4

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

2-N-(3-acetamidophenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 650709) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-N-(3-acetamidophenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-acetamidophenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID650709
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-N-(3-acetamidophenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C21H24N4O3/c1-14-8-10-16(11-9-14)24-21(28)25-12-4-7-19(25)20(27)23-18-6-3-5-17(13-18)22-15(2)26/h3,5-6,8-11,13,19H,4,7,12H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyVARDJHYZPHXUPT-UHFFFAOYSA-N
XLogP3.59
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-acetamidophenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(3-acetamidophenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (CID 650709) is 2-N-(3-acetamidophenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(3-acetamidophenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(3-acetamidophenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide is CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of 2-N-(3-acetamidophenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is VARDJHYZPHXUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14-8-10-16(11-9-14)24-21(28)25-12-4-7-19(25)20(27)23-18-6-3-5-17(13-18)22-15(2)26/h3,5-6,8-11,13,19H,4,7,12H2,1-2H3,(H,22,26)(H,23,27)(H,24,28).
What are the key properties of 2-N-(3-acetamidophenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
2-N-(3-acetamidophenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-acetamidophenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 650709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).