2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide

C22H26N4O4 — CID 3230278

IUPAC2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C22H26N4O4/c1-3-30-19-12-10-18(11-13-19)25-22(29)26-14-4-5-20(26)21(28)24-17-8-6-16(7-9-17)23-15(2)27/h6-13,20H,3-5,14H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeyILWVWZUJYUIQOA-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.68
Rot. Bonds6

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

2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3230278) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3230278
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C22H26N4O4/c1-3-30-19-12-10-18(11-13-19)25-22(29)26-14-4-5-20(26)21(28)24-17-8-6-16(7-9-17)23-15(2)27/h6-13,20H,3-5,14H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeyILWVWZUJYUIQOA-UHFFFAOYSA-N
XLogP3.68
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 23607540
(2R)-2-N-(4-acetamidophenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468944
1-[(4-ethoxyphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61182203
(2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 92668241
(2R)-1-N-(4-ethoxyphenyl)-2-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide
CID 1443229
2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 43814291
benzyl 2-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3127517
(2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855939
2-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 42663266
(2R)-1-N-cyclohexyl-2-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468740
(2S)-2-N-tert-butyl-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468915
(2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1442935

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 3230278) is 2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide is CCOc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of 2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is ILWVWZUJYUIQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-3-30-19-12-10-18(11-13-19)25-22(29)26-14-4-5-20(26)21(28)24-17-8-6-16(7-9-17)23-15(2)27/h6-13,20H,3-5,14H2,1-2H3,(H,23,27)(H,24,28)(H,25,29).
What are the key properties of 2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide?
2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 410.47 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).