3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide

C19H22N2O6 — CID 2117105

IUPAC3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CCOc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O6/c1-24-15-11-13(12-16(25-2)18(15)26-3)19(23)21-20-17(22)9-10-27-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyILKALSIJMVLMQH-UHFFFAOYSA-N
MW374.39 g/mol
LogP1.94
Rot. Bonds8

About 3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide

3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide (PubChem CID 2117105) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide
PubChem CID2117105
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Name3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CCOc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O6/c1-24-15-11-13(12-16(25-2)18(15)26-3)19(23)21-20-17(22)9-10-27-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyILKALSIJMVLMQH-UHFFFAOYSA-N
XLogP1.94
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 9399555
1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide
CID 3801032
3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide
CID 30486316
N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide
CID 7969097
N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
CID 17340326
N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 9168927
N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 2117359
N'-[2-(2-methoxyphenoxy)acetyl]-4-(2-phenoxyethoxy)benzohydrazide
CID 4952895
3,4,5-trimethoxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 2088517
N-[(2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26734453
3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4938028
N'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide
CID 4043294

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide?
The IUPAC name of 3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide (CID 2117105) is 3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide.
What is the SMILES notation for 3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide?
The canonical SMILES for 3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide is COc1cc(C(=O)NNC(=O)CCOc2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide?
The InChIKey is ILKALSIJMVLMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-24-15-11-13(12-16(25-2)18(15)26-3)19(23)21-20-17(22)9-10-27-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide?
3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide has a molecular weight of 374.39 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide is sourced from PubChem (CID 2117105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).