2-N,3-N-bis(4-hydroxyphenyl)-1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide

C24H24N2O4 — CID 67923264

IUPAC2-N,3-N-bis(4-hydroxyphenyl)-1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
SMILESC=CCC12C=CC(C1)C(C(=O)Nc1ccc(O)cc1)C2C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C24H24N2O4/c1-2-12-24-13-11-15(14-24)20(22(29)25-16-3-7-18(27)8-4-16)21(24)23(30)26-17-5-9-19(28)10-6-17/h2-11,13,15,20-21,27-28H,1,12,14H2,(H,25,29)(H,26,30)
InChIKeyGBRIZVFIAVWDIR-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.06
Rot. Bonds6

About 2-N,3-N-bis(4-hydroxyphenyl)-1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide

2-N,3-N-bis(4-hydroxyphenyl)-1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide (PubChem CID 67923264) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-N,3-N-bis(4-hydroxyphenyl)-1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N,3-N-bis(4-hydroxyphenyl)-1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
PubChem CID67923264
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name2-N,3-N-bis(4-hydroxyphenyl)-1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
SMILESC=CCC12C=CC(C1)C(C(=O)Nc1ccc(O)cc1)C2C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C24H24N2O4/c1-2-12-24-13-11-15(14-24)20(22(29)25-16-3-7-18(27)8-4-16)21(24)23(30)26-17-5-9-19(28)10-6-17/h2-11,13,15,20-21,27-28H,1,12,14H2,(H,25,29)(H,26,30)
InChIKeyGBRIZVFIAVWDIR-UHFFFAOYSA-N
XLogP4.06
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(4-hydroxyphenyl)-1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The IUPAC name of 2-N,3-N-bis(4-hydroxyphenyl)-1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide (CID 67923264) is 2-N,3-N-bis(4-hydroxyphenyl)-1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide.
What is the SMILES notation for 2-N,3-N-bis(4-hydroxyphenyl)-1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The canonical SMILES for 2-N,3-N-bis(4-hydroxyphenyl)-1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide is C=CCC12C=CC(C1)C(C(=O)Nc1ccc(O)cc1)C2C(=O)Nc1ccc(O)cc1.
What is the InChIKey of 2-N,3-N-bis(4-hydroxyphenyl)-1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The InChIKey is GBRIZVFIAVWDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-2-12-24-13-11-15(14-24)20(22(29)25-16-3-7-18(27)8-4-16)21(24)23(30)26-17-5-9-19(28)10-6-17/h2-11,13,15,20-21,27-28H,1,12,14H2,(H,25,29)(H,26,30).
What are the key properties of 2-N,3-N-bis(4-hydroxyphenyl)-1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
2-N,3-N-bis(4-hydroxyphenyl)-1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide has a molecular weight of 404.47 g/mol, XLogP of 4.06, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(4-hydroxyphenyl)-1-prop-2-enylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide is sourced from PubChem (CID 67923264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).