1-benzyl-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide

C23H27N3O4 — CID 42884481

IUPAC1-benzyl-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C23H27N3O4/c1-3-25(16-21(27)24-19-9-11-20(30-2)12-10-19)23(29)18-13-22(28)26(15-18)14-17-7-5-4-6-8-17/h4-12,18H,3,13-16H2,1-2H3,(H,24,27)
InChIKeyXOQWLUKCVRARAU-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.53
Rot. Bonds8

About 1-benzyl-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 42884481) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-benzyl-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID42884481
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name1-benzyl-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C23H27N3O4/c1-3-25(16-21(27)24-19-9-11-20(30-2)12-10-19)23(29)18-13-22(28)26(15-18)14-17-7-5-4-6-8-17/h4-12,18H,3,13-16H2,1-2H3,(H,24,27)
InChIKeyXOQWLUKCVRARAU-UHFFFAOYSA-N
XLogP2.53
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide (CID 42884481) is 1-benzyl-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide is CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XOQWLUKCVRARAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-3-25(16-21(27)24-19-9-11-20(30-2)12-10-19)23(29)18-13-22(28)26(15-18)14-17-7-5-4-6-8-17/h4-12,18H,3,13-16H2,1-2H3,(H,24,27).
What are the key properties of 1-benzyl-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42884481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).