3,5-dimethoxy-N'-(4-phenoxybutanoyl)benzohydrazide

C19H22N2O5 — CID 2089093

IUPAC3,5-dimethoxy-N'-(4-phenoxybutanoyl)benzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CCCOc2ccccc2)c1
InChIInChI=1S/C19H22N2O5/c1-24-16-11-14(12-17(13-16)25-2)19(23)21-20-18(22)9-6-10-26-15-7-4-3-5-8-15/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFMZCFCFFPRRLLG-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.32
Rot. Bonds8

About 3,5-dimethoxy-N'-(4-phenoxybutanoyl)benzohydrazide

3,5-dimethoxy-N'-(4-phenoxybutanoyl)benzohydrazide (PubChem CID 2089093) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 3,5-dimethoxy-N'-(4-phenoxybutanoyl)benzohydrazide.

Molecular Properties

Compound Name3,5-dimethoxy-N'-(4-phenoxybutanoyl)benzohydrazide
PubChem CID2089093
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name3,5-dimethoxy-N'-(4-phenoxybutanoyl)benzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CCCOc2ccccc2)c1
InChIInChI=1S/C19H22N2O5/c1-24-16-11-14(12-17(13-16)25-2)19(23)21-20-18(22)9-6-10-26-15-7-4-3-5-8-15/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFMZCFCFFPRRLLG-UHFFFAOYSA-N
XLogP2.32
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,5-dimethoxy-N'-(4-phenoxybutanoyl)benzohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N'-(4-phenoxybutanoyl)benzohydrazide?
The IUPAC name of 3,5-dimethoxy-N'-(4-phenoxybutanoyl)benzohydrazide (CID 2089093) is 3,5-dimethoxy-N'-(4-phenoxybutanoyl)benzohydrazide.
What is the SMILES notation for 3,5-dimethoxy-N'-(4-phenoxybutanoyl)benzohydrazide?
The canonical SMILES for 3,5-dimethoxy-N'-(4-phenoxybutanoyl)benzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)CCCOc2ccccc2)c1.
What is the InChIKey of 3,5-dimethoxy-N'-(4-phenoxybutanoyl)benzohydrazide?
The InChIKey is FMZCFCFFPRRLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-24-16-11-14(12-17(13-16)25-2)19(23)21-20-18(22)9-6-10-26-15-7-4-3-5-8-15/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3,5-dimethoxy-N'-(4-phenoxybutanoyl)benzohydrazide?
3,5-dimethoxy-N'-(4-phenoxybutanoyl)benzohydrazide has a molecular weight of 358.39 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N'-(4-phenoxybutanoyl)benzohydrazide is sourced from PubChem (CID 2089093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).