N'-acetyl-3,4,5-trimethoxybenzohydrazide

C12H16N2O5 — CID 913637

IUPACN'-acetyl-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(C)=O)cc(OC)c1OC
InChIInChI=1S/C12H16N2O5/c1-7(15)13-14-12(16)8-5-9(17-2)11(19-4)10(6-8)18-3/h5-6H,1-4H3,(H,13,15)(H,14,16)
InChIKeyZTJBPMCTLOJGAX-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.49
Rot. Bonds4

About N'-acetyl-3,4,5-trimethoxybenzohydrazide

N'-acetyl-3,4,5-trimethoxybenzohydrazide (PubChem CID 913637) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is N'-acetyl-3,4,5-trimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-acetyl-3,4,5-trimethoxybenzohydrazide
PubChem CID913637
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC NameN'-acetyl-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(C)=O)cc(OC)c1OC
InChIInChI=1S/C12H16N2O5/c1-7(15)13-14-12(16)8-5-9(17-2)11(19-4)10(6-8)18-3/h5-6H,1-4H3,(H,13,15)(H,14,16)
InChIKeyZTJBPMCTLOJGAX-UHFFFAOYSA-N
XLogP0.49
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.49
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

1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide
CID 3801032
3,4,5-trimethoxy-N-sulfanylbenzamide
CID 59695341
1-cyclohexyl-3-[(3,4,5-trimethoxybenzoyl)amino]urea
CID 1358989
N'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 2715629
3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide
CID 43056910
3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide
CID 2352026
N'-(3-bromo-4-methylbenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4509539
N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4805458
N'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide
CID 4043294
N'-(cyclohexylidenemethyl)-3,4,5-trimethoxybenzohydrazide
CID 2164338
3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide
CID 31301682
4-methyl-N'-(3,4,5-trimethoxybenzoyl)piperazine-1-carbohydrazide;hydrochloride
CID 134105342

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-3,4,5-trimethoxybenzohydrazide?
The IUPAC name of N'-acetyl-3,4,5-trimethoxybenzohydrazide (CID 913637) is N'-acetyl-3,4,5-trimethoxybenzohydrazide.
What is the SMILES notation for N'-acetyl-3,4,5-trimethoxybenzohydrazide?
The canonical SMILES for N'-acetyl-3,4,5-trimethoxybenzohydrazide is COc1cc(C(=O)NNC(C)=O)cc(OC)c1OC.
What is the InChIKey of N'-acetyl-3,4,5-trimethoxybenzohydrazide?
The InChIKey is ZTJBPMCTLOJGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-7(15)13-14-12(16)8-5-9(17-2)11(19-4)10(6-8)18-3/h5-6H,1-4H3,(H,13,15)(H,14,16).
What are the key properties of N'-acetyl-3,4,5-trimethoxybenzohydrazide?
N'-acetyl-3,4,5-trimethoxybenzohydrazide has a molecular weight of 268.27 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-3,4,5-trimethoxybenzohydrazide is sourced from PubChem (CID 913637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).