1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide

C21H25N3O4 — CID 3219752

IUPAC1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1cc(NC(=O)C2CCCN2C(=O)NCc2ccccc2)cc(OC)c1
InChIInChI=1S/C21H25N3O4/c1-27-17-11-16(12-18(13-17)28-2)23-20(25)19-9-6-10-24(19)21(26)22-14-15-7-4-3-5-8-15/h3-5,7-8,11-13,19H,6,9-10,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyJQZGJSAEBIFQGX-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.02
Rot. Bonds6

About 1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide

1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3219752) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3219752
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1cc(NC(=O)C2CCCN2C(=O)NCc2ccccc2)cc(OC)c1
InChIInChI=1S/C21H25N3O4/c1-27-17-11-16(12-18(13-17)28-2)23-20(25)19-9-6-10-24(19)21(26)22-14-15-7-4-3-5-8-15/h3-5,7-8,11-13,19H,6,9-10,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyJQZGJSAEBIFQGX-UHFFFAOYSA-N
XLogP3.02
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-N-benzyl-2-N-(3,4-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468769
1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219635
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814318
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
1-[(3-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61208248
1-N-benzyl-2-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 3219746
(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
(2S)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 28509945
(2R)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922749
(2R)-2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide
CID 1468785
2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide
CID 649014

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 3219752) is 1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide is COc1cc(NC(=O)C2CCCN2C(=O)NCc2ccccc2)cc(OC)c1.
What is the InChIKey of 1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is JQZGJSAEBIFQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-17-11-16(12-18(13-17)28-2)23-20(25)19-9-6-10-24(19)21(26)22-14-15-7-4-3-5-8-15/h3-5,7-8,11-13,19H,6,9-10,14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide?
1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).