3,4,5-trimethoxy-N'-propan-2-ylbenzohydrazide

C13H20N2O4 — CID 27391

IUPAC3,4,5-trimethoxy-N'-propan-2-ylbenzohydrazide
SMILESCOc1cc(C(=O)NNC(C)C)cc(OC)c1OC
InChIInChI=1S/C13H20N2O4/c1-8(2)14-15-13(16)9-6-10(17-3)12(19-5)11(7-9)18-4/h6-8,14H,1-5H3,(H,15,16)
InChIKeyZFTFLJTVUCFSRS-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.36
Rot. Bonds6

About 3,4,5-trimethoxy-N'-propan-2-ylbenzohydrazide

3,4,5-trimethoxy-N'-propan-2-ylbenzohydrazide (PubChem CID 27391) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N'-propan-2-ylbenzohydrazide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N'-propan-2-ylbenzohydrazide
PubChem CID27391
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3,4,5-trimethoxy-N'-propan-2-ylbenzohydrazide
SMILESCOc1cc(C(=O)NNC(C)C)cc(OC)c1OC
InChIInChI=1S/C13H20N2O4/c1-8(2)14-15-13(16)9-6-10(17-3)12(19-5)11(7-9)18-4/h6-8,14H,1-5H3,(H,15,16)
InChIKeyZFTFLJTVUCFSRS-UHFFFAOYSA-N
XLogP1.36
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.36
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

Troxipide
CID 5597
3,4,5-Trimethoxybenzamide
CID 18334
4-Hydroxy-3,5-dimethoxybenzamide
CID 76522
Decimemide
CID 26929
3,4,5-Trimethoxybenzohydrazide
CID 76793
3,5-Dimethoxybenzohydrazide
CID 352312
N'-[2-(3,4-dimethoxyphenyl)acetyl]benzohydrazide
CID 2083285
3,4-Dimethoxybenzohydrazide
CID 1530859
N'-[3-(2-furyl)acryloyl]-3,4,5-trimethoxybenzohydrazide
CID 695831
3,5-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 846324
N'-(cyclopropanecarbonyl)-3,4,5-trimethoxybenzohydrazide
CID 916392
N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 2476387

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N'-propan-2-ylbenzohydrazide?
The IUPAC name of 3,4,5-trimethoxy-N'-propan-2-ylbenzohydrazide (CID 27391) is 3,4,5-trimethoxy-N'-propan-2-ylbenzohydrazide.
What is the SMILES notation for 3,4,5-trimethoxy-N'-propan-2-ylbenzohydrazide?
The canonical SMILES for 3,4,5-trimethoxy-N'-propan-2-ylbenzohydrazide is COc1cc(C(=O)NNC(C)C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N'-propan-2-ylbenzohydrazide?
The InChIKey is ZFTFLJTVUCFSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-8(2)14-15-13(16)9-6-10(17-3)12(19-5)11(7-9)18-4/h6-8,14H,1-5H3,(H,15,16).
What are the key properties of 3,4,5-trimethoxy-N'-propan-2-ylbenzohydrazide?
3,4,5-trimethoxy-N'-propan-2-ylbenzohydrazide has a molecular weight of 268.31 g/mol, XLogP of 1.36, 6 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'-propan-2-ylbenzohydrazide is sourced from PubChem (CID 27391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).