bis(2-hydroxyethyl) 2,5-dianilinobenzene-1,4-dicarboxylate

C24H24N2O6 — CID 11774923

IUPACbis(2-hydroxyethyl) 2,5-dianilinobenzene-1,4-dicarboxylate
SMILESO=C(OCCO)c1cc(Nc2ccccc2)c(C(=O)OCCO)cc1Nc1ccccc1
InChIInChI=1S/C24H24N2O6/c27-11-13-31-23(29)19-16-22(26-18-9-5-2-6-10-18)20(24(30)32-14-12-28)15-21(19)25-17-7-3-1-4-8-17/h1-10,15-16,25-28H,11-14H2
InChIKeyJNWXYYFLUDUXIE-UHFFFAOYSA-N
MW436.46 g/mol
LogP3.47
Rot. Bonds10

About bis(2-hydroxyethyl) 2,5-dianilinobenzene-1,4-dicarboxylate

bis(2-hydroxyethyl) 2,5-dianilinobenzene-1,4-dicarboxylate (PubChem CID 11774923) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is bis(2-hydroxyethyl) 2,5-dianilinobenzene-1,4-dicarboxylate.

Molecular Properties

Compound Namebis(2-hydroxyethyl) 2,5-dianilinobenzene-1,4-dicarboxylate
PubChem CID11774923
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Namebis(2-hydroxyethyl) 2,5-dianilinobenzene-1,4-dicarboxylate
SMILESO=C(OCCO)c1cc(Nc2ccccc2)c(C(=O)OCCO)cc1Nc1ccccc1
InChIInChI=1S/C24H24N2O6/c27-11-13-31-23(29)19-16-22(26-18-9-5-2-6-10-18)20(24(30)32-14-12-28)15-21(19)25-17-7-3-1-4-8-17/h1-10,15-16,25-28H,11-14H2
InChIKeyJNWXYYFLUDUXIE-UHFFFAOYSA-N
XLogP3.47
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

dimethyl 2-anilino-5-methylbenzene-1,4-dicarboxylate
CID 59019297
methyl 2-anilino-4,5-dimethoxybenzoate
CID 71428699
2-(2-hydroxyethoxycarbonyl)benzoate
CID 7034609
2-hydroxyethyl 2-aminooxybenzoate
CID 21127308
2-anilino-5-fluoroterephthalic acid
CID 16748393
2-hydroxyethyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 156840191
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-anilinobenzoate
CID 3694895
(3-fluorophenyl)methyl 2-anilinobenzoate
CID 4574449
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate
CID 7857667
(2-chlorophenyl)methyl 2-anilinobenzoate
CID 5148106
[2-(2-fluorophenyl)-2-oxoethyl] 2-anilinobenzoate
CID 2378619
2-O-(2-hydroxyethyl) 1-O-octyl benzene-1,2-dicarboxylate
CID 150225256

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl) 2,5-dianilinobenzene-1,4-dicarboxylate?
The IUPAC name of bis(2-hydroxyethyl) 2,5-dianilinobenzene-1,4-dicarboxylate (CID 11774923) is bis(2-hydroxyethyl) 2,5-dianilinobenzene-1,4-dicarboxylate.
What is the SMILES notation for bis(2-hydroxyethyl) 2,5-dianilinobenzene-1,4-dicarboxylate?
The canonical SMILES for bis(2-hydroxyethyl) 2,5-dianilinobenzene-1,4-dicarboxylate is O=C(OCCO)c1cc(Nc2ccccc2)c(C(=O)OCCO)cc1Nc1ccccc1.
What is the InChIKey of bis(2-hydroxyethyl) 2,5-dianilinobenzene-1,4-dicarboxylate?
The InChIKey is JNWXYYFLUDUXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c27-11-13-31-23(29)19-16-22(26-18-9-5-2-6-10-18)20(24(30)32-14-12-28)15-21(19)25-17-7-3-1-4-8-17/h1-10,15-16,25-28H,11-14H2.
What are the key properties of bis(2-hydroxyethyl) 2,5-dianilinobenzene-1,4-dicarboxylate?
bis(2-hydroxyethyl) 2,5-dianilinobenzene-1,4-dicarboxylate has a molecular weight of 436.46 g/mol, XLogP of 3.47, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl) 2,5-dianilinobenzene-1,4-dicarboxylate is sourced from PubChem (CID 11774923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).