(4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one

C26H27NO3 — CID 134850809

IUPAC(4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one
SMILESCOc1ccc(C[C@@H]2[C@@H](OCc3ccccc3)CC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C26H27NO3/c1-29-23-14-12-20(13-15-23)16-24-25(30-19-22-10-6-3-7-11-22)17-26(28)27(24)18-21-8-4-2-5-9-21/h2-15,24-25H,16-19H2,1H3/t24-,25+/m1/s1
InChIKeyWIJOJBROKUJMDY-RPBOFIJWSA-N
MW401.51 g/mol
LogP4.62
Rot. Bonds8

About (4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one

(4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one (PubChem CID 134850809) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is (4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one
PubChem CID134850809
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Name(4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one
SMILESCOc1ccc(C[C@@H]2[C@@H](OCc3ccccc3)CC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C26H27NO3/c1-29-23-14-12-20(13-15-23)16-24-25(30-19-22-10-6-3-7-11-22)17-26(28)27(24)18-21-8-4-2-5-9-21/h2-15,24-25H,16-19H2,1H3/t24-,25+/m1/s1
InChIKeyWIJOJBROKUJMDY-RPBOFIJWSA-N
XLogP4.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5R)-1-benzyl-4-hydroxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 134850808
(4R,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one
CID 101060614
(4R,5R)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one
CID 101060621
(5S,6S)-6-ethyl-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one
CID 102479868
(5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one
CID 11235798
(5S,6S)-1-[(4-methoxyphenyl)methyl]-6-phenyl-5-phenylmethoxypiperidin-2-one
CID 102479873
(4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one
CID 11087728
(3R,4S,5R)-1-benzyl-3,4-dihydroxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 10881978
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 2176488
3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione
CID 171320911
1-[(4-methoxyphenyl)methyl]-3-phenylmethoxy-2-(trifluoromethyl)azetidine
CID 178065868

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one?
The IUPAC name of (4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one (CID 134850809) is (4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for (4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one is COc1ccc(C[C@@H]2[C@@H](OCc3ccccc3)CC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of (4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one?
The InChIKey is WIJOJBROKUJMDY-RPBOFIJWSA-N. The full InChI is InChI=1S/C26H27NO3/c1-29-23-14-12-20(13-15-23)16-24-25(30-19-22-10-6-3-7-11-22)17-26(28)27(24)18-21-8-4-2-5-9-21/h2-15,24-25H,16-19H2,1H3/t24-,25+/m1/s1.
What are the key properties of (4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one?
(4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one has a molecular weight of 401.51 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 134850809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).