4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate

C25H23NO5 — CID 55373772

IUPAC4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OCC(=O)NC(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H23NO5/c1-30-24(28)20-12-14-21(15-13-20)25(29)31-17-23(27)26-22(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-15,22H,16-17H2,1H3,(H,26,27)
InChIKeyDGOJLJBESHGFEO-UHFFFAOYSA-N
MW417.46 g/mol
LogP3.73
Rot. Bonds8

About 4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate

4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate (PubChem CID 55373772) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is 4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
PubChem CID55373772
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OCC(=O)NC(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H23NO5/c1-30-24(28)20-12-14-21(15-13-20)25(29)31-17-23(27)26-22(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-15,22H,16-17H2,1H3,(H,26,27)
InChIKeyDGOJLJBESHGFEO-UHFFFAOYSA-N
XLogP3.73
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate with MolForge

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Related Compounds

1-O-methyl 4-O-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] benzene-1,4-dicarboxylate
CID 7521657
[2-(1,2-diphenylethylamino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate
CID 46814702
[2-(1,2-diphenylethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 18193784
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 4-methylbenzoate
CID 7594600
[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-methylbenzoate
CID 55397418
methyl 4-[(1R)-1-anilino-2-phenylethyl]benzoate
CID 146163527
[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8520907
[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 8566042
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 4-chlorobenzoate
CID 7594546
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-methoxybenzoate
CID 7862103
[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 8520166
methyl N-(1,2-diphenylethyl)carbamate
CID 139785732

Frequently Asked Questions

What is the IUPAC name of 4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate?
The IUPAC name of 4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate (CID 55373772) is 4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate.
What is the SMILES notation for 4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate?
The canonical SMILES for 4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OCC(=O)NC(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate?
The InChIKey is DGOJLJBESHGFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5/c1-30-24(28)20-12-14-21(15-13-20)25(29)31-17-23(27)26-22(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-15,22H,16-17H2,1H3,(H,26,27).
What are the key properties of 4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate?
4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate has a molecular weight of 417.46 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate is sourced from PubChem (CID 55373772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).