1-benzyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide

C25H31N3O3 — CID 25161938

IUPAC1-benzyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1C(CNC(=O)C1CC(=O)N(Cc2ccccc2)C1)N1CCCC1
InChIInChI=1S/C25H31N3O3/c1-31-23-12-6-5-11-21(23)22(27-13-7-8-14-27)16-26-25(30)20-15-24(29)28(18-20)17-19-9-3-2-4-10-19/h2-6,9-12,20,22H,7-8,13-18H2,1H3,(H,26,30)
InChIKeyDKFXBRXFZJLLHM-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.00
Rot. Bonds8

About 1-benzyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 25161938) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-benzyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID25161938
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name1-benzyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1C(CNC(=O)C1CC(=O)N(Cc2ccccc2)C1)N1CCCC1
InChIInChI=1S/C25H31N3O3/c1-31-23-12-6-5-11-21(23)22(27-13-7-8-14-27)16-26-25(30)20-15-24(29)28(18-20)17-19-9-3-2-4-10-19/h2-6,9-12,20,22H,7-8,13-18H2,1H3,(H,26,30)
InChIKeyDKFXBRXFZJLLHM-UHFFFAOYSA-N
XLogP3.00
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide (CID 25161938) is 1-benzyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccccc1C(CNC(=O)C1CC(=O)N(Cc2ccccc2)C1)N1CCCC1.
What is the InChIKey of 1-benzyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DKFXBRXFZJLLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-31-23-12-6-5-11-21(23)22(27-13-7-8-14-27)16-26-25(30)20-15-24(29)28(18-20)17-19-9-3-2-4-10-19/h2-6,9-12,20,22H,7-8,13-18H2,1H3,(H,26,30).
What are the key properties of 1-benzyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 25161938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).