N'-(4-butoxy-3-methoxybenzoyl)-2,3-dihydro-1,4-dioxine-5-carbohydrazide

C17H22N2O6 — CID 24553459

IUPACN'-(4-butoxy-3-methoxybenzoyl)-2,3-dihydro-1,4-dioxine-5-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)C2=COCCO2)cc1OC
InChIInChI=1S/C17H22N2O6/c1-3-4-7-24-13-6-5-12(10-14(13)22-2)16(20)18-19-17(21)15-11-23-8-9-25-15/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOOMGMXHMYFXJKW-UHFFFAOYSA-N
MW350.37 g/mol
LogP1.52
Rot. Bonds7

About N'-(4-butoxy-3-methoxybenzoyl)-2,3-dihydro-1,4-dioxine-5-carbohydrazide

N'-(4-butoxy-3-methoxybenzoyl)-2,3-dihydro-1,4-dioxine-5-carbohydrazide (PubChem CID 24553459) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is N'-(4-butoxy-3-methoxybenzoyl)-2,3-dihydro-1,4-dioxine-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-butoxy-3-methoxybenzoyl)-2,3-dihydro-1,4-dioxine-5-carbohydrazide
PubChem CID24553459
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC NameN'-(4-butoxy-3-methoxybenzoyl)-2,3-dihydro-1,4-dioxine-5-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)C2=COCCO2)cc1OC
InChIInChI=1S/C17H22N2O6/c1-3-4-7-24-13-6-5-12(10-14(13)22-2)16(20)18-19-17(21)15-11-23-8-9-25-15/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOOMGMXHMYFXJKW-UHFFFAOYSA-N
XLogP1.52
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(4-butoxy-3-methoxybenzoyl)-2,3-dihydro-1,4-dioxine-5-carbohydrazide 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

N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide
CID 25442733
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336
4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide
CID 9440115
N'-(4-butoxy-3-methoxybenzoyl)-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
CID 25442206
4-butoxy-3-methoxy-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]benzohydrazide
CID 30933321
N'-(4-butoxy-3-methoxybenzoyl)-2-hydroxy-4-methylbenzohydrazide
CID 31715670
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide
CID 46490716
N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide
CID 35781657

Frequently Asked Questions

What is the IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)-2,3-dihydro-1,4-dioxine-5-carbohydrazide?
The IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)-2,3-dihydro-1,4-dioxine-5-carbohydrazide (CID 24553459) is N'-(4-butoxy-3-methoxybenzoyl)-2,3-dihydro-1,4-dioxine-5-carbohydrazide.
What is the SMILES notation for N'-(4-butoxy-3-methoxybenzoyl)-2,3-dihydro-1,4-dioxine-5-carbohydrazide?
The canonical SMILES for N'-(4-butoxy-3-methoxybenzoyl)-2,3-dihydro-1,4-dioxine-5-carbohydrazide is CCCCOc1ccc(C(=O)NNC(=O)C2=COCCO2)cc1OC.
What is the InChIKey of N'-(4-butoxy-3-methoxybenzoyl)-2,3-dihydro-1,4-dioxine-5-carbohydrazide?
The InChIKey is OOMGMXHMYFXJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6/c1-3-4-7-24-13-6-5-12(10-14(13)22-2)16(20)18-19-17(21)15-11-23-8-9-25-15/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4-butoxy-3-methoxybenzoyl)-2,3-dihydro-1,4-dioxine-5-carbohydrazide?
N'-(4-butoxy-3-methoxybenzoyl)-2,3-dihydro-1,4-dioxine-5-carbohydrazide has a molecular weight of 350.37 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butoxy-3-methoxybenzoyl)-2,3-dihydro-1,4-dioxine-5-carbohydrazide is sourced from PubChem (CID 24553459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).