N-[(E)-3-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide

C25H23N3O5 — CID 135470831

IUPACN-[(E)-3-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESCOc1cc(/C=N/NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)cc(OC)c1O
InChIInChI=1S/C25H23N3O5/c1-32-21-14-18(15-22(33-2)23(21)29)16-26-28-25(31)20(13-17-9-5-3-6-10-17)27-24(30)19-11-7-4-8-12-19/h3-16,29H,1-2H3,(H,27,30)(H,28,31)/b20-13+,26-16+
InChIKeyFNYFSVWJEDFLBU-LZJHMVIHSA-N
MW445.48 g/mol
LogP3.33
Rot. Bonds8

About N-[(E)-3-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide

N-[(E)-3-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide (PubChem CID 135470831) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-[(E)-3-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-3-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
PubChem CID135470831
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC NameN-[(E)-3-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESCOc1cc(/C=N/NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)cc(OC)c1O
InChIInChI=1S/C25H23N3O5/c1-32-21-14-18(15-22(33-2)23(21)29)16-26-28-25(31)20(13-17-9-5-3-6-10-17)27-24(30)19-11-7-4-8-12-19/h3-16,29H,1-2H3,(H,27,30)(H,28,31)/b20-13+,26-16+
InChIKeyFNYFSVWJEDFLBU-LZJHMVIHSA-N
XLogP3.33
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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'}

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Related Compounds

N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]naphthalene-1-carbohydrazide
CID 135489946
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135735439
1-N,4-N-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3983721
N'-(3,4,5-trimethoxybenzylidene)[1,1'-biphenyl]-4-carbohydrazide
CID 6870899
N-[1-(Benzo[1,3]dioxol-5-ylmethylene-hydrazinocarbonyl)-2-(3,4-dimethoxy-phenyl)-vinyl]-benzamide
CID 9589959
[4-[(E)-[(3,5-dihydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 25237267
3,4,5-Trimethoxy-N-(2-{2-[(Z,2Z)-2-methyl-3-phenyl-2-propenylidene]hydrazino}-2-oxoethyl)benzamide
CID 51064219
N-[1-{[2-(4-hydroxy-3,5-dimethoxybenzylidene)hydrazino]carbonyl}-2-(4-nitrophenyl)vinyl]benzamide
CID 135470812
N-((E)-2-(1,3-benzodioxol-5-yl)-1-{[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazino]carbonyl}vinyl)benzamide
CID 135497987
N-(3-{N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 135693604
N-(4-{[2-(3-hydroxy-4-methoxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 6875720
N-(4-{[2-(4-hydroxy-3-methoxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 135418716

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-3-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide (CID 135470831) is N-[(E)-3-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-3-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-3-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide is COc1cc(/C=N/NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)cc(OC)c1O.
What is the InChIKey of N-[(E)-3-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The InChIKey is FNYFSVWJEDFLBU-LZJHMVIHSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-32-21-14-18(15-22(33-2)23(21)29)16-26-28-25(31)20(13-17-9-5-3-6-10-17)27-24(30)19-11-7-4-8-12-19/h3-16,29H,1-2H3,(H,27,30)(H,28,31)/b20-13+,26-16+.
What are the key properties of N-[(E)-3-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
N-[(E)-3-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide has a molecular weight of 445.48 g/mol, XLogP of 3.33, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 135470831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).