N-(1,3-benzodioxol-5-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide

C20H21N3O5 — CID 4282772

IUPACN-(1,3-benzodioxol-5-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide
SMILESCC(CC(=O)Nc1ccc2c(c1)OCO2)=NNC(=O)COc1ccccc1C
InChIInChI=1S/C20H21N3O5/c1-13-5-3-4-6-16(13)26-11-20(25)23-22-14(2)9-19(24)21-15-7-8-17-18(10-15)28-12-27-17/h3-8,10H,9,11-12H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyDDNCUQLIBRBFFP-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.62
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide

N-(1,3-benzodioxol-5-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide (PubChem CID 4282772) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide
PubChem CID4282772
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide
SMILESCC(CC(=O)Nc1ccc2c(c1)OCO2)=NNC(=O)COc1ccccc1C
InChIInChI=1S/C20H21N3O5/c1-13-5-3-4-6-16(13)26-11-20(25)23-22-14(2)9-19(24)21-15-7-8-17-18(10-15)28-12-27-17/h3-8,10H,9,11-12H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyDDNCUQLIBRBFFP-UHFFFAOYSA-N
XLogP2.62
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(1,3-benzodioxol-5-yl)-3-[[2-(2-methylphenoxy)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

(3E)-N-(1,3-benzodioxol-5-yl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 17384616
N-(9-ethylcarbazol-3-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 3107349
(3Z)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]-N-pyridin-3-ylbutanamide
CID 6069598
2-amino-N-[[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]amino]benzamide
CID 3790241
N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide
CID 7730837
N'-[(Z)-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]amino]-N-(3-chloro-4-methylphenyl)oxamide
CID 6020360
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 2593350
N-[(Z)-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]amino]-1-hydroxynaphthalene-2-carboxamide
CID 7369780
N-[(E)-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]amino]-2-nitrobenzamide
CID 17384613
N-(4-acetamidophenyl)-3-[[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 4147649
N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978494
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]butanamide
CID 3105585

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide (CID 4282772) is N-(1,3-benzodioxol-5-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide is CC(CC(=O)Nc1ccc2c(c1)OCO2)=NNC(=O)COc1ccccc1C.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide?
The InChIKey is DDNCUQLIBRBFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-13-5-3-4-6-16(13)26-11-20(25)23-22-14(2)9-19(24)21-15-7-8-17-18(10-15)28-12-27-17/h3-8,10H,9,11-12H2,1-2H3,(H,21,24)(H,23,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide?
N-(1,3-benzodioxol-5-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide has a molecular weight of 383.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide is sourced from PubChem (CID 4282772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).