3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide

C20H22N2O6 — CID 9399555

IUPAC3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CCC(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H22N2O6/c1-26-16-11-14(12-17(27-2)19(16)28-3)20(25)22-21-18(24)10-9-15(23)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyLWGXVYXDEYFCOE-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.14
Rot. Bonds8

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

3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide (PubChem CID 9399555) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
PubChem CID9399555
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CCC(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H22N2O6/c1-26-16-11-14(12-17(27-2)19(16)28-3)20(25)22-21-18(24)10-9-15(23)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyLWGXVYXDEYFCOE-UHFFFAOYSA-N
XLogP2.14
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.14
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'-(3-phenoxypropanoyl)benzohydrazide
CID 2117105
1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide
CID 3801032
4-chloro-2-methoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 29281321
N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 2117359
3,4,5-trimethoxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 2088517
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
N'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide
CID 4043294
3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4938028
N'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 2715629
3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide
CID 43056910
N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 4808541
N'-(2-ethoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4926525

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide?
The IUPAC name of 3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide (CID 9399555) is 3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide.
What is the SMILES notation for 3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide?
The canonical SMILES for 3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide is COc1cc(C(=O)NNC(=O)CCC(=O)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide?
The InChIKey is LWGXVYXDEYFCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-26-16-11-14(12-17(27-2)19(16)28-3)20(25)22-21-18(24)10-9-15(23)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide?
3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide has a molecular weight of 386.40 g/mol, XLogP of 2.14, 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'-(4-oxo-4-phenylbutanoyl)benzohydrazide is sourced from PubChem (CID 9399555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).