2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide

C25H32N2O3 — CID 24789381

IUPAC2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCCCN1C[C@H](Cc2ccccc2)[C@@H](CC(=O)NCc2ccc(OC)cc2)C1=O
InChIInChI=1S/C25H32N2O3/c1-3-4-14-27-18-21(15-19-8-6-5-7-9-19)23(25(27)29)16-24(28)26-17-20-10-12-22(30-2)13-11-20/h5-13,21,23H,3-4,14-18H2,1-2H3,(H,26,28)/t21-,23+/m0/s1
InChIKeyFIFZWQPJCAQSPC-JTHBVZDNSA-N
MW408.54 g/mol
LogP3.82
Rot. Bonds10

About 2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide

2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 24789381) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID24789381
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCCCN1C[C@H](Cc2ccccc2)[C@@H](CC(=O)NCc2ccc(OC)cc2)C1=O
InChIInChI=1S/C25H32N2O3/c1-3-4-14-27-18-21(15-19-8-6-5-7-9-19)23(25(27)29)16-24(28)26-17-20-10-12-22(30-2)13-11-20/h5-13,21,23H,3-4,14-18H2,1-2H3,(H,26,28)/t21-,23+/m0/s1
InChIKeyFIFZWQPJCAQSPC-JTHBVZDNSA-N
XLogP3.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 24789381) is 2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide is CCCCN1C[C@H](Cc2ccccc2)[C@@H](CC(=O)NCc2ccc(OC)cc2)C1=O.
What is the InChIKey of 2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is FIFZWQPJCAQSPC-JTHBVZDNSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-3-4-14-27-18-21(15-19-8-6-5-7-9-19)23(25(27)29)16-24(28)26-17-20-10-12-22(30-2)13-11-20/h5-13,21,23H,3-4,14-18H2,1-2H3,(H,26,28)/t21-,23+/m0/s1.
What are the key properties of 2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 408.54 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 24789381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).