3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide

C18H20N2O4 — CID 1107941

IUPAC3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1OC
InChIInChI=1S/C18H20N2O4/c1-23-15-10-9-14(12-16(15)24-2)18(22)20-19-17(21)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXQOFZBBZZDXXOD-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.10
Rot. Bonds6

About 3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide

3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide (PubChem CID 1107941) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide.

Molecular Properties

Compound Name3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
PubChem CID1107941
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1OC
InChIInChI=1S/C18H20N2O4/c1-23-15-10-9-14(12-16(15)24-2)18(22)20-19-17(21)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXQOFZBBZZDXXOD-UHFFFAOYSA-N
XLogP2.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide
CID 7972010
3,4-dimethoxy-N'-[4-(2-phenylethoxy)butanoyl]benzohydrazide
CID 55833812
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide
CID 35556165
3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
CID 9232703
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide
CID 4146056
3,4-dimethoxy-N'-[2-(2-methoxyphenyl)acetyl]benzohydrazide
CID 24645288
3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide
CID 3283240
4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide
CID 30317919
N'-(3,4-dimethoxybenzoyl)-2-phenylmethoxypyridine-4-carbohydrazide
CID 55996835
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
4-(2-phenoxyethoxy)-N'-(3-phenylpropanoyl)benzohydrazide
CID 4952848

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide?
The IUPAC name of 3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide (CID 1107941) is 3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide.
What is the SMILES notation for 3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide?
The canonical SMILES for 3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide is COc1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide?
The InChIKey is XQOFZBBZZDXXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-23-15-10-9-14(12-16(15)24-2)18(22)20-19-17(21)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide?
3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide has a molecular weight of 328.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide is sourced from PubChem (CID 1107941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).