(E)-3-(4-hydroxy-3-methoxyphenyl)-N'-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-N,N'-bis(2-phenylethyl)prop-2-enehydrazide

C36H36N2O6 — CID 102432376

IUPAC(E)-3-(4-hydroxy-3-methoxyphenyl)-N'-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-N,N'-bis(2-phenylethyl)prop-2-enehydrazide
SMILESCOc1cc(/C=C/C(=O)N(CCc2ccccc2)N(CCc2ccccc2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C36H36N2O6/c1-43-33-25-29(13-17-31(33)39)15-19-35(41)37(23-21-27-9-5-3-6-10-27)38(24-22-28-11-7-4-8-12-28)36(42)20-16-30-14-18-32(40)34(26-30)44-2/h3-20,25-26,39-40H,21-24H2,1-2H3/b19-15+,20-16+
InChIKeyVRNUFYFRFYDKPE-MXWIWYRXSA-N
MW592.69 g/mol
LogP5.90
Rot. Bonds12

About (E)-3-(4-hydroxy-3-methoxyphenyl)-N'-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-N,N'-bis(2-phenylethyl)prop-2-enehydrazide

(E)-3-(4-hydroxy-3-methoxyphenyl)-N'-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-N,N'-bis(2-phenylethyl)prop-2-enehydrazide (PubChem CID 102432376) has the molecular formula C36H36N2O6 and a molecular weight of 592.69 g/mol. Its IUPAC name is (E)-3-(4-hydroxy-3-methoxyphenyl)-N'-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-N,N'-bis(2-phenylethyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(4-hydroxy-3-methoxyphenyl)-N'-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-N,N'-bis(2-phenylethyl)prop-2-enehydrazide
PubChem CID102432376
Molecular FormulaC36H36N2O6
Molecular Weight592.69 g/mol
Exact Mass592.26
IUPAC Name(E)-3-(4-hydroxy-3-methoxyphenyl)-N'-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-N,N'-bis(2-phenylethyl)prop-2-enehydrazide
SMILESCOc1cc(/C=C/C(=O)N(CCc2ccccc2)N(CCc2ccccc2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C36H36N2O6/c1-43-33-25-29(13-17-31(33)39)15-19-35(41)37(23-21-27-9-5-3-6-10-27)38(24-22-28-11-7-4-8-12-28)36(42)20-16-30-14-18-32(40)34(26-30)44-2/h3-20,25-26,39-40H,21-24H2,1-2H3/b19-15+,20-16+
InChIKeyVRNUFYFRFYDKPE-MXWIWYRXSA-N
XLogP5.90
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.69
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-(4-hydroxy-3-methoxyphenyl)-N'-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-N,N'-bis(2-phenylethyl)prop-2-enehydrazide with MolForge

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Related Compounds

(E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 11550934
1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 54335344
benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
(1E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
CID 141082674
azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 25050146
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 969516
(E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide
CID 6057475
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione;silver
CID 174575212
trisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 174973622
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide
CID 14237547
2-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-phenylbutanoic acid
CID 90970881
2-phenylethyl (Z)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 92531543

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxy-3-methoxyphenyl)-N'-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-N,N'-bis(2-phenylethyl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(4-hydroxy-3-methoxyphenyl)-N'-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-N,N'-bis(2-phenylethyl)prop-2-enehydrazide (CID 102432376) is (E)-3-(4-hydroxy-3-methoxyphenyl)-N'-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-N,N'-bis(2-phenylethyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(4-hydroxy-3-methoxyphenyl)-N'-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-N,N'-bis(2-phenylethyl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(4-hydroxy-3-methoxyphenyl)-N'-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-N,N'-bis(2-phenylethyl)prop-2-enehydrazide is COc1cc(/C=C/C(=O)N(CCc2ccccc2)N(CCc2ccccc2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O.
What is the InChIKey of (E)-3-(4-hydroxy-3-methoxyphenyl)-N'-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-N,N'-bis(2-phenylethyl)prop-2-enehydrazide?
The InChIKey is VRNUFYFRFYDKPE-MXWIWYRXSA-N. The full InChI is InChI=1S/C36H36N2O6/c1-43-33-25-29(13-17-31(33)39)15-19-35(41)37(23-21-27-9-5-3-6-10-27)38(24-22-28-11-7-4-8-12-28)36(42)20-16-30-14-18-32(40)34(26-30)44-2/h3-20,25-26,39-40H,21-24H2,1-2H3/b19-15+,20-16+.
What are the key properties of (E)-3-(4-hydroxy-3-methoxyphenyl)-N'-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-N,N'-bis(2-phenylethyl)prop-2-enehydrazide?
(E)-3-(4-hydroxy-3-methoxyphenyl)-N'-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-N,N'-bis(2-phenylethyl)prop-2-enehydrazide has a molecular weight of 592.69 g/mol, XLogP of 5.90, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxy-3-methoxyphenyl)-N'-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-N,N'-bis(2-phenylethyl)prop-2-enehydrazide is sourced from PubChem (CID 102432376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).