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

C21H24N4O3 — CID 1442935

IUPAC(2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C21H24N4O3/c1-14-6-3-7-16(12-14)24-21(28)25-11-5-10-19(25)20(27)23-18-9-4-8-17(13-18)22-15(2)26/h3-4,6-9,12-13,19H,5,10-11H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t19-/m1/s1
InChIKeyQJGFSTQCJQPHDD-LJQANCHMSA-N
MW380.45 g/mol
LogP3.59
Rot. Bonds4

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

(2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 1442935) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is (2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID1442935
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name(2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C21H24N4O3/c1-14-6-3-7-16(12-14)24-21(28)25-11-5-10-19(25)20(27)23-18-9-4-8-17(13-18)22-15(2)26/h3-4,6-9,12-13,19H,5,10-11H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t19-/m1/s1
InChIKeyQJGFSTQCJQPHDD-LJQANCHMSA-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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Related Compounds

(2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1468971
1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3230204
2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3697683
(2R)-1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 1442922
1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 46756185
(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445725
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
2-N-(2,4-dimethoxyphenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230202
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
(2S)-1-N-(3-acetylphenyl)-2-N-(2,4-dimethylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1443428
tert-butyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2884114
phenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 6543354

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide (CID 1442935) is (2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide is CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of (2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is QJGFSTQCJQPHDD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14-6-3-7-16(12-14)24-21(28)25-11-5-10-19(25)20(27)23-18-9-4-8-17(13-18)22-15(2)26/h3-4,6-9,12-13,19H,5,10-11H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t19-/m1/s1.
What are the key properties of (2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
(2R)-2-N-(3-acetamidophenyl)-1-N-(3-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 (2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1442935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).