N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]butanamide

C22H25N3O6 — CID 3105585

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]butanamide
SMILESCOc1ccc(CC(=O)NN=C(C)CC(=O)Nc2ccc3c(c2)OCCO3)cc1OC
InChIInChI=1S/C22H25N3O6/c1-14(10-21(26)23-16-5-7-18-20(13-16)31-9-8-30-18)24-25-22(27)12-15-4-6-17(28-2)19(11-15)29-3/h4-7,11,13H,8-10,12H2,1-3H3,(H,23,26)(H,25,27)
InChIKeyCRJLJRMGVLMGMG-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.54
Rot. Bonds8

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]butanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]butanamide (PubChem CID 3105585) has the molecular formula C22H25N3O6 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]butanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]butanamide
PubChem CID3105585
Molecular FormulaC22H25N3O6
Molecular Weight427.46 g/mol
Exact Mass427.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]butanamide
SMILESCOc1ccc(CC(=O)NN=C(C)CC(=O)Nc2ccc3c(c2)OCCO3)cc1OC
InChIInChI=1S/C22H25N3O6/c1-14(10-21(26)23-16-5-7-18-20(13-16)31-9-8-30-18)24-25-22(27)12-15-4-6-17(28-2)19(11-15)29-3/h4-7,11,13H,8-10,12H2,1-3H3,(H,23,26)(H,25,27)
InChIKeyCRJLJRMGVLMGMG-UHFFFAOYSA-N
XLogP2.54
TPSA107.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]butanamide 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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
CID 109027867
(3E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(formylhydrazinylidene)butanamide
CID 16740219
(3E)-N-(1,3-benzodioxol-5-yl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 17384616
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110768018
3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(2-methylphenyl)butanamide
CID 2876719
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
CID 2698891
2-chloro-N-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutan-2-ylidene]amino]benzamide
CID 3105547
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-(3,4-dimethoxyphenyl)acetamide
CID 4118668
2-bromo-N-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutan-2-ylidene]amino]benzamide
CID 3689999
N-(1,3-benzodioxol-5-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 4282772
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
N-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutan-2-ylidene]amino]pyrazine-2-carboxamide
CID 3121391

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]butanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]butanamide (CID 3105585) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]butanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]butanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]butanamide is COc1ccc(CC(=O)NN=C(C)CC(=O)Nc2ccc3c(c2)OCCO3)cc1OC.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]butanamide?
The InChIKey is CRJLJRMGVLMGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6/c1-14(10-21(26)23-16-5-7-18-20(13-16)31-9-8-30-18)24-25-22(27)12-15-4-6-17(28-2)19(11-15)29-3/h4-7,11,13H,8-10,12H2,1-3H3,(H,23,26)(H,25,27).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]butanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]butanamide has a molecular weight of 427.46 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]butanamide is sourced from PubChem (CID 3105585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).