3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide

C24H24N2O6 — CID 4938028

IUPAC3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H24N2O6/c1-29-20-13-17(14-21(30-2)22(20)31-3)23(27)25-26-24(28)18-11-7-8-12-19(18)32-15-16-9-5-4-6-10-16/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyJSBLEBDMAADQEY-UHFFFAOYSA-N
MW436.46 g/mol
LogP3.37
Rot. Bonds8

About 3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide

3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide (PubChem CID 4938028) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
PubChem CID4938028
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Name3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H24N2O6/c1-29-20-13-17(14-21(30-2)22(20)31-3)23(27)25-26-24(28)18-11-7-8-12-19(18)32-15-16-9-5-4-6-10-16/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyJSBLEBDMAADQEY-UHFFFAOYSA-N
XLogP3.37
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.37
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

N'-(2-ethoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4926525
2-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1328288
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3,4,5-trimethoxybenzohydrazide
CID 25162867
N'-[4-(2-methoxyethoxy)benzoyl]-2-phenylmethoxybenzohydrazide
CID 17353669
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4941310
N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide
CID 4938113
2-propoxy-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]benzamide
CID 4949353
N'-(4-butoxybenzoyl)-2-phenylmethoxybenzohydrazide
CID 4938160
dimethyl (E)-2,3-bis(2-phenylmethoxyphenyl)but-2-enedioate
CID 135020990

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide?
The IUPAC name of 3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide (CID 4938028) is 3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide.
What is the SMILES notation for 3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide?
The canonical SMILES for 3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide is COc1cc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide?
The InChIKey is JSBLEBDMAADQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c1-29-20-13-17(14-21(30-2)22(20)31-3)23(27)25-26-24(28)18-11-7-8-12-19(18)32-15-16-9-5-4-6-10-16/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide?
3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide has a molecular weight of 436.46 g/mol, XLogP of 3.37, 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'-(2-phenylmethoxybenzoyl)benzohydrazide is sourced from PubChem (CID 4938028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).