(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)-3-hydroxy-N,3-diphenylprop-2-enamide

C23H19N3O4 — CID 135413470

IUPAC(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)-3-hydroxy-N,3-diphenylprop-2-enamide
SMILESO=C(Nc1ccccc1)C(/N=N/c1ccc2c(c1)OCCO2)=C(/O)c1ccccc1
InChIInChI=1S/C23H19N3O4/c27-22(16-7-3-1-4-8-16)21(23(28)24-17-9-5-2-6-10-17)26-25-18-11-12-19-20(15-18)30-14-13-29-19/h1-12,15,27H,13-14H2,(H,24,28)/b22-21-,26-25+
InChIKeyAWOMCHZCQTUZOY-YRMNOKGTSA-N
MW401.42 g/mol
LogP5.11
Rot. Bonds5

About (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)-3-hydroxy-N,3-diphenylprop-2-enamide

(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)-3-hydroxy-N,3-diphenylprop-2-enamide (PubChem CID 135413470) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)-3-hydroxy-N,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)-3-hydroxy-N,3-diphenylprop-2-enamide
PubChem CID135413470
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)-3-hydroxy-N,3-diphenylprop-2-enamide
SMILESO=C(Nc1ccccc1)C(/N=N/c1ccc2c(c1)OCCO2)=C(/O)c1ccccc1
InChIInChI=1S/C23H19N3O4/c27-22(16-7-3-1-4-8-16)21(23(28)24-17-9-5-2-6-10-17)26-25-18-11-12-19-20(15-18)30-14-13-29-19/h1-12,15,27H,13-14H2,(H,24,28)/b22-21-,26-25+
InChIKeyAWOMCHZCQTUZOY-YRMNOKGTSA-N
XLogP5.11
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.42
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)-3-hydroxy-N,3-diphenylprop-2-enamide with MolForge

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Related Compounds

(Z)-3-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)-4-hydroxypent-3-en-2-one
CID 135421502
3-hydroxy-2-[(4-hydroxyphenyl)diazenyl]-N-phenylbut-2-enamide
CID 157218994
N-phenyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaene-14-carboxamide
CID 102452440
methyl (E)-2-(1,3-benzodioxol-5-yldiazenyl)-3-hydroxybut-2-enoate
CID 135583212
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylthiourea
CID 4591472
(Z)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylprop-2-enamide
CID 1290804
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide
CID 52794866
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide
CID 82127722
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide
CID 44997744
N-(3-bromophenyl)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 108987680
(4-benzamidophenyl) 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 26665414
N-(anilinocarbamothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17100249

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)-3-hydroxy-N,3-diphenylprop-2-enamide?
The IUPAC name of (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)-3-hydroxy-N,3-diphenylprop-2-enamide (CID 135413470) is (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)-3-hydroxy-N,3-diphenylprop-2-enamide.
What is the SMILES notation for (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)-3-hydroxy-N,3-diphenylprop-2-enamide?
The canonical SMILES for (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)-3-hydroxy-N,3-diphenylprop-2-enamide is O=C(Nc1ccccc1)C(/N=N/c1ccc2c(c1)OCCO2)=C(/O)c1ccccc1.
What is the InChIKey of (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)-3-hydroxy-N,3-diphenylprop-2-enamide?
The InChIKey is AWOMCHZCQTUZOY-YRMNOKGTSA-N. The full InChI is InChI=1S/C23H19N3O4/c27-22(16-7-3-1-4-8-16)21(23(28)24-17-9-5-2-6-10-17)26-25-18-11-12-19-20(15-18)30-14-13-29-19/h1-12,15,27H,13-14H2,(H,24,28)/b22-21-,26-25+.
What are the key properties of (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)-3-hydroxy-N,3-diphenylprop-2-enamide?
(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)-3-hydroxy-N,3-diphenylprop-2-enamide has a molecular weight of 401.42 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)-3-hydroxy-N,3-diphenylprop-2-enamide is sourced from PubChem (CID 135413470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).