5-(2,6-dimethoxyphenyl)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-2-one

C25H25NO4 — CID 69083465

IUPAC5-(2,6-dimethoxyphenyl)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1cccc(OC)c1C1CCC(=O)N1Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C25H25NO4/c1-28-22-12-7-13-23(29-2)25(22)21-14-15-24(27)26(21)17-18-8-6-11-20(16-18)30-19-9-4-3-5-10-19/h3-13,16,21H,14-15,17H2,1-2H3
InChIKeyMDWAKJNHSDZNKH-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.36
Rot. Bonds7

About 5-(2,6-dimethoxyphenyl)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-2-one

5-(2,6-dimethoxyphenyl)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 69083465) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID69083465
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name5-(2,6-dimethoxyphenyl)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1cccc(OC)c1C1CCC(=O)N1Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C25H25NO4/c1-28-22-12-7-13-23(29-2)25(22)21-14-15-24(27)26(21)17-18-8-6-11-20(16-18)30-19-9-4-3-5-10-19/h3-13,16,21H,14-15,17H2,1-2H3
InChIKeyMDWAKJNHSDZNKH-UHFFFAOYSA-N
XLogP5.36
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,6-dimethoxyphenyl)-1-[(3-piperidin-1-ylphenyl)methyl]piperidin-2-one
CID 69083450
2-(2,6-dimethoxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,3-thiazinan-4-one
CID 3393859
6-(2,6-dimethoxyphenyl)-1-(quinoxalin-6-ylmethyl)piperidin-2-one
CID 69083291
5-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 18367418
(6R)-6-(2,6-dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one
CID 124528104
(5S)-5-ethenyl-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 57242076
6-(2,6-dimethoxyphenyl)-1-[(4-phenyl-2-pyridinyl)methyl]piperidin-2-one
CID 69085337
4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]azetidin-2-one
CID 10924467
6-(2-fluoro-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69083745
6,7-dimethoxy-2-[[3-(4-phenoxyphenoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 11213509
7-(2,6-dimethoxyphenyl)azepan-2-one;7-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]azepan-2-one
CID 159103196
6-[2-(3-hydroxypropoxy)-6-methoxyphenyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69080237

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-2-one (CID 69083465) is 5-(2,6-dimethoxyphenyl)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-2-one is COc1cccc(OC)c1C1CCC(=O)N1Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is MDWAKJNHSDZNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-28-22-12-7-13-23(29-2)25(22)21-14-15-24(27)26(21)17-18-8-6-11-20(16-18)30-19-9-4-3-5-10-19/h3-13,16,21H,14-15,17H2,1-2H3.
What are the key properties of 5-(2,6-dimethoxyphenyl)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-2-one?
5-(2,6-dimethoxyphenyl)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 403.48 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 69083465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).