(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide

C20H22N2O3 — CID 9182397

IUPAC(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide
SMILESCCN(NC(=O)/C=C/c1ccc2c(c1)OCCO2)c1ccc(C)cc1
InChIInChI=1S/C20H22N2O3/c1-3-22(17-8-4-15(2)5-9-17)21-20(23)11-7-16-6-10-18-19(14-16)25-13-12-24-18/h4-11,14H,3,12-13H2,1-2H3,(H,21,23)/b11-7+
InChIKeyLAIBRJDYIHDHPQ-YRNVUSSQSA-N
MW338.41 g/mol
LogP3.34
Rot. Bonds5

About (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide

(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide (PubChem CID 9182397) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide
PubChem CID9182397
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide
SMILESCCN(NC(=O)/C=C/c1ccc2c(c1)OCCO2)c1ccc(C)cc1
InChIInChI=1S/C20H22N2O3/c1-3-22(17-8-4-15(2)5-9-17)21-20(23)11-7-16-6-10-18-19(14-16)25-13-12-24-18/h4-11,14H,3,12-13H2,1-2H3,(H,21,23)/b11-7+
InChIKeyLAIBRJDYIHDHPQ-YRNVUSSQSA-N
XLogP3.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N'-ethyl-N'-(4-methylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enehydrazide
CID 9182749
(E)-3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 9297361
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)prop-2-enamide
CID 51145488
N-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 78778921
(E)-N-butylsulfonyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 75363423
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 9301176
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one
CID 2780965
(Z)-3-(1,3-benzodioxol-5-yl)-N-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methylphenyl)-2-oxoethyl]prop-2-enamide
CID 92653611
[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
CID 71954362
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide
CID 86822381
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl chloride
CID 95927945
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoic acid;hydrochloride
CID 175105253

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide (CID 9182397) is (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide is CCN(NC(=O)/C=C/c1ccc2c(c1)OCCO2)c1ccc(C)cc1.
What is the InChIKey of (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide?
The InChIKey is LAIBRJDYIHDHPQ-YRNVUSSQSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-22(17-8-4-15(2)5-9-17)21-20(23)11-7-16-6-10-18-19(14-16)25-13-12-24-18/h4-11,14H,3,12-13H2,1-2H3,(H,21,23)/b11-7+.
What are the key properties of (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide?
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide has a molecular weight of 338.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide is sourced from PubChem (CID 9182397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).