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

C32H37FN2O6 — CID 10175101

IUPACethyl 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(Cc1ccc(OCCC2CN(Cc3cccc(OC)c3)C(=O)N2C)cc1)Oc1ccccc1F
InChIInChI=1S/C32H37FN2O6/c1-5-39-30(36)32(2,41-29-12-7-6-11-28(29)33)20-23-13-15-26(16-14-23)40-18-17-25-22-35(31(37)34(25)3)21-24-9-8-10-27(19-24)38-4/h6-16,19,25H,5,17-18,20-22H2,1-4H3
InChIKeyKNOJVFCWNOFETA-UHFFFAOYSA-N
MW564.65 g/mol
LogP5.48
Rot. Bonds13

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

ethyl 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoate (PubChem CID 10175101) has the molecular formula C32H37FN2O6 and a molecular weight of 564.65 g/mol. Its IUPAC name is ethyl 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoate
PubChem CID10175101
Molecular FormulaC32H37FN2O6
Molecular Weight564.65 g/mol
Exact Mass564.26
IUPAC Nameethyl 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(Cc1ccc(OCCC2CN(Cc3cccc(OC)c3)C(=O)N2C)cc1)Oc1ccccc1F
InChIInChI=1S/C32H37FN2O6/c1-5-39-30(36)32(2,41-29-12-7-6-11-28(29)33)20-23-13-15-26(16-14-23)40-18-17-25-22-35(31(37)34(25)3)21-24-9-8-10-27(19-24)38-4/h6-16,19,25H,5,17-18,20-22H2,1-4H3
InChIKeyKNOJVFCWNOFETA-UHFFFAOYSA-N
XLogP5.48
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.65
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoate?
The IUPAC name of ethyl 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoate (CID 10175101) is ethyl 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoate?
The canonical SMILES for ethyl 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoate is CCOC(=O)C(C)(Cc1ccc(OCCC2CN(Cc3cccc(OC)c3)C(=O)N2C)cc1)Oc1ccccc1F.
What is the InChIKey of ethyl 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoate?
The InChIKey is KNOJVFCWNOFETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN2O6/c1-5-39-30(36)32(2,41-29-12-7-6-11-28(29)33)20-23-13-15-26(16-14-23)40-18-17-25-22-35(31(37)34(25)3)21-24-9-8-10-27(19-24)38-4/h6-16,19,25H,5,17-18,20-22H2,1-4H3.
What are the key properties of ethyl 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoate?
ethyl 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoate has a molecular weight of 564.65 g/mol, XLogP of 5.48, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluorophenoxy)-3-[4-[2-[1-[(3-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methylpropanoate is sourced from PubChem (CID 10175101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).