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

C29H32N2O4 — CID 24789297

IUPAC2-[(3R,4R)-4-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)C[C@H]2C(=O)N(Cc3ccc(OC)cc3)C[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C29H32N2O4/c1-34-25-12-8-22(9-13-25)18-30-28(32)17-27-24(16-21-6-4-3-5-7-21)20-31(29(27)33)19-23-10-14-26(35-2)15-11-23/h3-15,24,27H,16-20H2,1-2H3,(H,30,32)/t24-,27+/m0/s1
InChIKeyTZYZETPNIPSUJJ-RPLLCQBOSA-N
MW472.59 g/mol
LogP4.23
Rot. Bonds10

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

2-[(3R,4R)-4-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 24789297) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-[(3R,4R)-4-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3R,4R)-4-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID24789297
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC Name2-[(3R,4R)-4-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)C[C@H]2C(=O)N(Cc3ccc(OC)cc3)C[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C29H32N2O4/c1-34-25-12-8-22(9-13-25)18-30-28(32)17-27-24(16-21-6-4-3-5-7-21)20-31(29(27)33)19-23-10-14-26(35-2)15-11-23/h3-15,24,27H,16-20H2,1-2H3,(H,30,32)/t24-,27+/m0/s1
InChIKeyTZYZETPNIPSUJJ-RPLLCQBOSA-N
XLogP4.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(3R,4R)-4-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 24789297) is 2-[(3R,4R)-4-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3R,4R)-4-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(3R,4R)-4-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)C[C@H]2C(=O)N(Cc3ccc(OC)cc3)C[C@@H]2Cc2ccccc2)cc1.
What is the InChIKey of 2-[(3R,4R)-4-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is TZYZETPNIPSUJJ-RPLLCQBOSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-34-25-12-8-22(9-13-25)18-30-28(32)17-27-24(16-21-6-4-3-5-7-21)20-31(29(27)33)19-23-10-14-26(35-2)15-11-23/h3-15,24,27H,16-20H2,1-2H3,(H,30,32)/t24-,27+/m0/s1.
What are the key properties of 2-[(3R,4R)-4-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[(3R,4R)-4-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 472.59 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-benzyl-1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 24789297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).