[4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate

C24H19N3O6 — CID 5233463

IUPAC[4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate
SMILESCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)cc2)cc1
InChIInChI=1S/C24H19N3O6/c1-32-21-13-7-19(8-14-21)24(29)26-25-16-18-4-11-22(12-5-18)33-23(28)15-6-17-2-9-20(10-3-17)27(30)31/h2-16H,1H3,(H,26,29)
InChIKeyVYCXSIWOQLNUGU-UHFFFAOYSA-N
MW445.43 g/mol
LogP3.99
Rot. Bonds8

About [4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate

[4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate (PubChem CID 5233463) has the molecular formula C24H19N3O6 and a molecular weight of 445.43 g/mol. Its IUPAC name is [4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate.

Molecular Properties

Compound Name[4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate
PubChem CID5233463
Molecular FormulaC24H19N3O6
Molecular Weight445.43 g/mol
Exact Mass445.13
IUPAC Name[4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate
SMILESCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)cc2)cc1
InChIInChI=1S/C24H19N3O6/c1-32-21-13-7-19(8-14-21)24(29)26-25-16-18-4-11-22(12-5-18)33-23(28)15-6-17-2-9-20(10-3-17)27(30)31/h2-16H,1H3,(H,26,29)
InChIKeyVYCXSIWOQLNUGU-UHFFFAOYSA-N
XLogP3.99
TPSA120.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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

[2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] (E)-3-phenylprop-2-enoate
CID 126233950
[2-[(E)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 126230177
[4-[[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate
CID 5233462
methyl 4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxybenzoate
CID 2404751
[4-[(Z)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6011138
[2-ethoxy-4-[[[3-[(4-methoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] (E)-3-(4-nitrophenyl)prop-2-enoate
CID 126233478
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 5418193
[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-(4-methoxyphenyl)prop-2-enoate
CID 3965580
N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 931984
4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403791
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 771719
[2-[(E)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]-6-nitrophenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 126225684

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate?
The IUPAC name of [4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate (CID 5233463) is [4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate.
What is the SMILES notation for [4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate?
The canonical SMILES for [4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate is COc1ccc(C(=O)NN=Cc2ccc(OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)cc2)cc1.
What is the InChIKey of [4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate?
The InChIKey is VYCXSIWOQLNUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O6/c1-32-21-13-7-19(8-14-21)24(29)26-25-16-18-4-11-22(12-5-18)33-23(28)15-6-17-2-9-20(10-3-17)27(30)31/h2-16H,1H3,(H,26,29).
What are the key properties of [4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate?
[4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate has a molecular weight of 445.43 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate is sourced from PubChem (CID 5233463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).