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

C27H34N2O3 — CID 24793527

IUPAC2-[(3R,4R)-4-benzyl-1-cyclohexyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)C[C@H]2C(=O)N(C3CCCCC3)C[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C27H34N2O3/c1-32-24-14-12-21(13-15-24)18-28-26(30)17-25-22(16-20-8-4-2-5-9-20)19-29(27(25)31)23-10-6-3-7-11-23/h2,4-5,8-9,12-15,22-23,25H,3,6-7,10-11,16-19H2,1H3,(H,28,30)/t22-,25+/m0/s1
InChIKeyVRWCWLNCDFITHG-WIOPSUGQSA-N
MW434.58 g/mol
LogP4.35
Rot. Bonds8

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

2-[(3R,4R)-4-benzyl-1-cyclohexyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 24793527) has the molecular formula C27H34N2O3 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-[(3R,4R)-4-benzyl-1-cyclohexyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3R,4R)-4-benzyl-1-cyclohexyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID24793527
Molecular FormulaC27H34N2O3
Molecular Weight434.58 g/mol
Exact Mass434.26
IUPAC Name2-[(3R,4R)-4-benzyl-1-cyclohexyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)C[C@H]2C(=O)N(C3CCCCC3)C[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C27H34N2O3/c1-32-24-14-12-21(13-15-24)18-28-26(30)17-25-22(16-20-8-4-2-5-9-20)19-29(27(25)31)23-10-6-3-7-11-23/h2,4-5,8-9,12-15,22-23,25H,3,6-7,10-11,16-19H2,1H3,(H,28,30)/t22-,25+/m0/s1
InChIKeyVRWCWLNCDFITHG-WIOPSUGQSA-N
XLogP4.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.35
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-cyclohexyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(3R,4R)-4-benzyl-1-cyclohexyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 24793527) is 2-[(3R,4R)-4-benzyl-1-cyclohexyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3R,4R)-4-benzyl-1-cyclohexyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(3R,4R)-4-benzyl-1-cyclohexyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)C[C@H]2C(=O)N(C3CCCCC3)C[C@@H]2Cc2ccccc2)cc1.
What is the InChIKey of 2-[(3R,4R)-4-benzyl-1-cyclohexyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is VRWCWLNCDFITHG-WIOPSUGQSA-N. The full InChI is InChI=1S/C27H34N2O3/c1-32-24-14-12-21(13-15-24)18-28-26(30)17-25-22(16-20-8-4-2-5-9-20)19-29(27(25)31)23-10-6-3-7-11-23/h2,4-5,8-9,12-15,22-23,25H,3,6-7,10-11,16-19H2,1H3,(H,28,30)/t22-,25+/m0/s1.
What are the key properties of 2-[(3R,4R)-4-benzyl-1-cyclohexyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[(3R,4R)-4-benzyl-1-cyclohexyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 434.58 g/mol, XLogP of 4.35, 8 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-cyclohexyl-2-oxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 24793527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).