2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

C21H23N3O4 — CID 43814291

IUPAC2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C21H23N3O4/c1-14(25)15-5-7-16(8-6-15)22-20(26)19-4-3-13-24(19)21(27)23-17-9-11-18(28-2)12-10-17/h5-12,19H,3-4,13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyITVDPOOPMBHUPU-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.53
Rot. Bonds5

About 2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 43814291) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID43814291
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C21H23N3O4/c1-14(25)15-5-7-16(8-6-15)22-20(26)19-4-3-13-24(19)21(27)23-17-9-11-18(28-2)12-10-17/h5-12,19H,3-4,13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyITVDPOOPMBHUPU-UHFFFAOYSA-N
XLogP3.53
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-N-(4-acetamidophenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468944
(2R)-2-N-(4-acetylphenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 51426368
methyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754583
(2S)-2-N-tert-butyl-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468915
(2R)-1-N-cyclohexyl-2-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468740
1-N-(4-methoxyphenyl)-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 3219657
2-N-(2,3-dimethylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 24792294
2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230278
2-N-(4-acetylphenyl)-1-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 3230233
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
2-N-(2-methoxy-5-methylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 43814288
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 43814291) is 2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is COc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is ITVDPOOPMBHUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14(25)15-5-7-16(8-6-15)22-20(26)19-4-3-13-24(19)21(27)23-17-9-11-18(28-2)12-10-17/h5-12,19H,3-4,13H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 381.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 43814291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).