3,4-bis[2-(4-hydroxyphenyl)ethylamino]cyclobut-3-ene-1,2-dione

C20H20N2O4 — CID 139203487

IUPAC3,4-bis[2-(4-hydroxyphenyl)ethylamino]cyclobut-3-ene-1,2-dione
SMILESO=c1c(NCCc2ccc(O)cc2)c(NCCc2ccc(O)cc2)c1=O
InChIInChI=1S/C20H20N2O4/c23-15-5-1-13(2-6-15)9-11-21-17-18(20(26)19(17)25)22-12-10-14-3-7-16(24)8-4-14/h1-8,21-24H,9-12H2
InChIKeyJQTJHVKKUXVAOD-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.00
Rot. Bonds8

About 3,4-bis[2-(4-hydroxyphenyl)ethylamino]cyclobut-3-ene-1,2-dione

3,4-bis[2-(4-hydroxyphenyl)ethylamino]cyclobut-3-ene-1,2-dione (PubChem CID 139203487) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3,4-bis[2-(4-hydroxyphenyl)ethylamino]cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3,4-bis[2-(4-hydroxyphenyl)ethylamino]cyclobut-3-ene-1,2-dione
PubChem CID139203487
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name3,4-bis[2-(4-hydroxyphenyl)ethylamino]cyclobut-3-ene-1,2-dione
SMILESO=c1c(NCCc2ccc(O)cc2)c(NCCc2ccc(O)cc2)c1=O
InChIInChI=1S/C20H20N2O4/c23-15-5-1-13(2-6-15)9-11-21-17-18(20(26)19(17)25)22-12-10-14-3-7-16(24)8-4-14/h1-8,21-24H,9-12H2
InChIKeyJQTJHVKKUXVAOD-UHFFFAOYSA-N
XLogP2.00
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis[2-(4-hydroxyphenyl)ethylamino]cyclobut-3-ene-1,2-dione?
The IUPAC name of 3,4-bis[2-(4-hydroxyphenyl)ethylamino]cyclobut-3-ene-1,2-dione (CID 139203487) is 3,4-bis[2-(4-hydroxyphenyl)ethylamino]cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3,4-bis[2-(4-hydroxyphenyl)ethylamino]cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3,4-bis[2-(4-hydroxyphenyl)ethylamino]cyclobut-3-ene-1,2-dione is O=c1c(NCCc2ccc(O)cc2)c(NCCc2ccc(O)cc2)c1=O.
What is the InChIKey of 3,4-bis[2-(4-hydroxyphenyl)ethylamino]cyclobut-3-ene-1,2-dione?
The InChIKey is JQTJHVKKUXVAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-15-5-1-13(2-6-15)9-11-21-17-18(20(26)19(17)25)22-12-10-14-3-7-16(24)8-4-14/h1-8,21-24H,9-12H2.
What are the key properties of 3,4-bis[2-(4-hydroxyphenyl)ethylamino]cyclobut-3-ene-1,2-dione?
3,4-bis[2-(4-hydroxyphenyl)ethylamino]cyclobut-3-ene-1,2-dione has a molecular weight of 352.39 g/mol, XLogP of 2.00, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[2-(4-hydroxyphenyl)ethylamino]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 139203487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).