2-N-benzyl-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

C20H23N3O3 — CID 644676

IUPAC2-N-benzyl-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC1C(=O)NCc1ccccc1
InChIInChI=1S/C20H23N3O3/c1-26-18-12-6-5-10-16(18)22-20(25)23-13-7-11-17(23)19(24)21-14-15-8-3-2-4-9-15/h2-6,8-10,12,17H,7,11,13-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyJVUQJDBTPKMEOY-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.01
Rot. Bonds5

About 2-N-benzyl-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

2-N-benzyl-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 644676) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-N-benzyl-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID644676
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-N-benzyl-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC1C(=O)NCc1ccccc1
InChIInChI=1S/C20H23N3O3/c1-26-18-12-6-5-10-16(18)22-20(25)23-13-7-11-17(23)19(24)21-14-15-8-3-2-4-9-15/h2-6,8-10,12,17H,7,11,13-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyJVUQJDBTPKMEOY-UHFFFAOYSA-N
XLogP3.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-benzyl-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 644676) is 2-N-benzyl-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-benzyl-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is COc1ccccc1NC(=O)N1CCCC1C(=O)NCc1ccccc1.
What is the InChIKey of 2-N-benzyl-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is JVUQJDBTPKMEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-18-12-6-5-10-16(18)22-20(25)23-13-7-11-17(23)19(24)21-14-15-8-3-2-4-9-15/h2-6,8-10,12,17H,7,11,13-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-N-benzyl-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
2-N-benzyl-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 644676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).