[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enal

C23H24N2O4 — CID 142394247

IUPAC[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enal
SMILESC=C(C)C(=O)Oc1ccc(/C=N/N=C/c2ccc(OC)cc2)cc1.C=C(C)C=O
InChIInChI=1S/C19H18N2O3.C4H6O/c1-14(2)19(22)24-18-10-6-16(7-11-18)13-21-20-12-15-4-8-17(23-3)9-5-15;1-4(2)3-5/h4-13H,1H2,2-3H3;3H,1H2,2H3/b20-12+,21-13+;
InChIKeyQNGJCLOAGATGIY-DDVVPQEFSA-N
MW392.46 g/mol
LogP4.39
Rot. Bonds7

About [4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enal

[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enal (PubChem CID 142394247) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is [4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enal.

Molecular Properties

Compound Name[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enal
PubChem CID142394247
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enal
SMILESC=C(C)C(=O)Oc1ccc(/C=N/N=C/c2ccc(OC)cc2)cc1.C=C(C)C=O
InChIInChI=1S/C19H18N2O3.C4H6O/c1-14(2)19(22)24-18-10-6-16(7-11-18)13-21-20-12-15-4-8-17(23-3)9-5-15;1-4(2)3-5/h4-13H,1H2,2-3H3;3H,1H2,2H3/b20-12+,21-13+;
InChIKeyQNGJCLOAGATGIY-DDVVPQEFSA-N
XLogP4.39
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(4-methoxybenzoyl)phenyl] 2-methylprop-2-enoate
CID 67394366
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CID 144736968
[4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate
CID 90249392
[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl] 2-methylprop-2-enoate
CID 118657767
[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
CID 54432121
[4-[3-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]prop-2-enoyloxy]phenyl] 2-methylprop-2-enoate
CID 123192484
[4-[(Z)-hydroxyiminomethyl]phenyl] 4-methoxybenzoate
CID 5415416
[4-[4-[2-(3-methylbuta-1,3-dien-2-yloxy)ethenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 123740075
[4-[2-methoxy-4-(4-methoxyphenyl)-5-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 144772021
(4-methoxyphenyl) 2-oxoacetate
CID 165359062
[4-(4-formyloxyphenyl)phenyl] 2-methylprop-2-enoate;2-methylprop-1-ene
CID 144966682
[4-[4-(2-methylprop-2-enoyloxy)benzoyl]phenyl] 2-methylprop-2-enoate
CID 86688842

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enal?
The IUPAC name of [4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enal (CID 142394247) is [4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enal.
What is the SMILES notation for [4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enal?
The canonical SMILES for [4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enal is C=C(C)C(=O)Oc1ccc(/C=N/N=C/c2ccc(OC)cc2)cc1.C=C(C)C=O.
What is the InChIKey of [4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enal?
The InChIKey is QNGJCLOAGATGIY-DDVVPQEFSA-N. The full InChI is InChI=1S/C19H18N2O3.C4H6O/c1-14(2)19(22)24-18-10-6-16(7-11-18)13-21-20-12-15-4-8-17(23-3)9-5-15;1-4(2)3-5/h4-13H,1H2,2-3H3;3H,1H2,2H3/b20-12+,21-13+;.
What are the key properties of [4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enal?
[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enal has a molecular weight of 392.46 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enal is sourced from PubChem (CID 142394247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).