2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoic acid

C30H33FN2O6 — CID 10196343

IUPAC2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoic acid
SMILESCOc1cccc(CN2CC(CCOc3ccc(CC(C)(Oc4ccccc4F)C(=O)O)cc3)N(C)C2=O)c1
InChIInChI=1S/C30H33FN2O6/c1-30(28(34)35,39-27-10-5-4-9-26(27)31)18-21-11-13-24(14-12-21)38-16-15-23-20-33(29(36)32(23)2)19-22-7-6-8-25(17-22)37-3/h4-14,17,23H,15-16,18-20H2,1-3H3,(H,34,35)
InChIKeyLGKBICDYEXWULT-UHFFFAOYSA-N
MW536.60 g/mol
LogP5.00
Rot. Bonds12

About 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoic acid

2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoic acid (PubChem CID 10196343) has the molecular formula C30H33FN2O6 and a molecular weight of 536.60 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoic acid
PubChem CID10196343
Molecular FormulaC30H33FN2O6
Molecular Weight536.60 g/mol
Exact Mass536.23
IUPAC Name2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoic acid
SMILESCOc1cccc(CN2CC(CCOc3ccc(CC(C)(Oc4ccccc4F)C(=O)O)cc3)N(C)C2=O)c1
InChIInChI=1S/C30H33FN2O6/c1-30(28(34)35,39-27-10-5-4-9-26(27)31)18-21-11-13-24(14-12-21)38-16-15-23-20-33(29(36)32(23)2)19-22-7-6-8-25(17-22)37-3/h4-14,17,23H,15-16,18-20H2,1-3H3,(H,34,35)
InChIKeyLGKBICDYEXWULT-UHFFFAOYSA-N
XLogP5.00
TPSA88.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.60
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoic acid (CID 10196343) is 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoic acid is COc1cccc(CN2CC(CCOc3ccc(CC(C)(Oc4ccccc4F)C(=O)O)cc3)N(C)C2=O)c1.
What is the InChIKey of 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoic acid?
The InChIKey is LGKBICDYEXWULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN2O6/c1-30(28(34)35,39-27-10-5-4-9-26(27)31)18-21-11-13-24(14-12-21)38-16-15-23-20-33(29(36)32(23)2)19-22-7-6-8-25(17-22)37-3/h4-14,17,23H,15-16,18-20H2,1-3H3,(H,34,35).
What are the key properties of 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoic acid?
2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoic acid has a molecular weight of 536.60 g/mol, XLogP of 5.00, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 10196343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).