3,4-dimethoxy-N'-propanoylbenzohydrazide

C12H16N2O4 — CID 785401

IUPAC3,4-dimethoxy-N'-propanoylbenzohydrazide
SMILESCCC(=O)NNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H16N2O4/c1-4-11(15)13-14-12(16)8-5-6-9(17-2)10(7-8)18-3/h5-7H,4H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyZSBYFQKXFHOGNH-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.87
Rot. Bonds4

About 3,4-dimethoxy-N'-propanoylbenzohydrazide

3,4-dimethoxy-N'-propanoylbenzohydrazide (PubChem CID 785401) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3,4-dimethoxy-N'-propanoylbenzohydrazide.

Molecular Properties

Compound Name3,4-dimethoxy-N'-propanoylbenzohydrazide
PubChem CID785401
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3,4-dimethoxy-N'-propanoylbenzohydrazide
SMILESCCC(=O)NNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H16N2O4/c1-4-11(15)13-14-12(16)8-5-6-9(17-2)10(7-8)18-3/h5-7H,4H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyZSBYFQKXFHOGNH-UHFFFAOYSA-N
XLogP0.87
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.87
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'-propanoylbenzohydrazide 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

3,4-dimethoxy-N'-[2-(2-methoxyphenyl)acetyl]benzohydrazide
CID 24645288
N'-(3,4-dimethoxybenzoyl)-2,6-dimethoxybenzohydrazide
CID 1210380
3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 1107941
N'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934045
3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide
CID 3283240
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
CID 1107945
N'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934164
N'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
CID 24645355
N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide
CID 873947
3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
[(2S)-1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
CID 9151364

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N'-propanoylbenzohydrazide?
The IUPAC name of 3,4-dimethoxy-N'-propanoylbenzohydrazide (CID 785401) is 3,4-dimethoxy-N'-propanoylbenzohydrazide.
What is the SMILES notation for 3,4-dimethoxy-N'-propanoylbenzohydrazide?
The canonical SMILES for 3,4-dimethoxy-N'-propanoylbenzohydrazide is CCC(=O)NNC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3,4-dimethoxy-N'-propanoylbenzohydrazide?
The InChIKey is ZSBYFQKXFHOGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-4-11(15)13-14-12(16)8-5-6-9(17-2)10(7-8)18-3/h5-7H,4H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 3,4-dimethoxy-N'-propanoylbenzohydrazide?
3,4-dimethoxy-N'-propanoylbenzohydrazide has a molecular weight of 252.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N'-propanoylbenzohydrazide is sourced from PubChem (CID 785401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).