ethyl 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate

C30H32N2O5 — CID 170066443

IUPACethyl 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1c(C)cc(CN2C(=O)CN(c3ccc(-c4ccccc4)cc3)C2=O)cc1C
InChIInChI=1S/C30H32N2O5/c1-6-36-28(34)30(4,5)37-27-20(2)16-22(17-21(27)3)18-32-26(33)19-31(29(32)35)25-14-12-24(13-15-25)23-10-8-7-9-11-23/h7-17H,6,18-19H2,1-5H3
InChIKeyXDORPBMWBMHMIH-UHFFFAOYSA-N
MW500.60 g/mol
LogP5.66
Rot. Bonds8

About ethyl 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate

ethyl 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate (PubChem CID 170066443) has the molecular formula C30H32N2O5 and a molecular weight of 500.60 g/mol. Its IUPAC name is ethyl 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
PubChem CID170066443
Molecular FormulaC30H32N2O5
Molecular Weight500.60 g/mol
Exact Mass500.23
IUPAC Nameethyl 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1c(C)cc(CN2C(=O)CN(c3ccc(-c4ccccc4)cc3)C2=O)cc1C
InChIInChI=1S/C30H32N2O5/c1-6-36-28(34)30(4,5)37-27-20(2)16-22(17-21(27)3)18-32-26(33)19-31(29(32)35)25-14-12-24(13-15-25)23-10-8-7-9-11-23/h7-17H,6,18-19H2,1-5H3
InChIKeyXDORPBMWBMHMIH-UHFFFAOYSA-N
XLogP5.66
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate?
The IUPAC name of ethyl 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate (CID 170066443) is ethyl 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate is CCOC(=O)C(C)(C)Oc1c(C)cc(CN2C(=O)CN(c3ccc(-c4ccccc4)cc3)C2=O)cc1C.
What is the InChIKey of ethyl 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate?
The InChIKey is XDORPBMWBMHMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O5/c1-6-36-28(34)30(4,5)37-27-20(2)16-22(17-21(27)3)18-32-26(33)19-31(29(32)35)25-14-12-24(13-15-25)23-10-8-7-9-11-23/h7-17H,6,18-19H2,1-5H3.
What are the key properties of ethyl 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate?
ethyl 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate has a molecular weight of 500.60 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate is sourced from PubChem (CID 170066443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).