3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide

C19H22N2O4 — CID 2352026

IUPAC3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide
SMILESC=C(NNC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O4/c1-12-6-8-14(9-7-12)13(2)20-21-19(22)15-10-16(23-3)18(25-5)17(11-15)24-4/h6-11,20H,2H2,1,3-5H3,(H,21,22)
InChIKeyXYXKTCSVMZWXOH-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.93
Rot. Bonds7

About 3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide

3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide (PubChem CID 2352026) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide
PubChem CID2352026
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide
SMILESC=C(NNC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O4/c1-12-6-8-14(9-7-12)13(2)20-21-19(22)15-10-16(23-3)18(25-5)17(11-15)24-4/h6-11,20H,2H2,1,3-5H3,(H,21,22)
InChIKeyXYXKTCSVMZWXOH-UHFFFAOYSA-N
XLogP2.93
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9475893
3,4,5-trimethoxy-N'-[1-(3-methoxyphenyl)ethenyl]benzohydrazide
CID 2401018
3,4,5-trimethoxy-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 9366092
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
N'-(3-bromo-4-methylbenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4509539
3,4,5-trimethoxy-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide
CID 2366127
3,5-dichloro-4-methoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9366541
N'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide
CID 2453941
N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4805458
3-hydroxy-N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene-2-carbohydrazide
CID 5174774
2,3,4-trimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 7979201
3,4,5-trimethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 2121805

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide?
The IUPAC name of 3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide (CID 2352026) is 3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide.
What is the SMILES notation for 3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide?
The canonical SMILES for 3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide is C=C(NNC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(C)cc1.
What is the InChIKey of 3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide?
The InChIKey is XYXKTCSVMZWXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12-6-8-14(9-7-12)13(2)20-21-19(22)15-10-16(23-3)18(25-5)17(11-15)24-4/h6-11,20H,2H2,1,3-5H3,(H,21,22).
What are the key properties of 3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide?
3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide has a molecular weight of 342.40 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide is sourced from PubChem (CID 2352026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).