(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)prop-2-enamide

C19H19NO3 — CID 9191541

IUPAC(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H19NO3/c1-2-14-3-5-15(6-4-14)7-10-19(21)20-16-8-9-17-18(13-16)23-12-11-22-17/h3-10,13H,2,11-12H2,1H3,(H,20,21)/b10-7+
InChIKeyCHBUIMMDJBMLEL-JXMROGBWSA-N
MW309.37 g/mol
LogP3.67
Rot. Bonds4

About (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)prop-2-enamide

(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)prop-2-enamide (PubChem CID 9191541) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)prop-2-enamide
PubChem CID9191541
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H19NO3/c1-2-14-3-5-15(6-4-14)7-10-19(21)20-16-8-9-17-18(13-16)23-12-11-22-17/h3-10,13H,2,11-12H2,1H3,(H,20,21)/b10-7+
InChIKeyCHBUIMMDJBMLEL-JXMROGBWSA-N
XLogP3.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)prop-2-enamide (CID 9191541) is (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)prop-2-enamide is CCc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)prop-2-enamide?
The InChIKey is CHBUIMMDJBMLEL-JXMROGBWSA-N. The full InChI is InChI=1S/C19H19NO3/c1-2-14-3-5-15(6-4-14)7-10-19(21)20-16-8-9-17-18(13-16)23-12-11-22-17/h3-10,13H,2,11-12H2,1H3,(H,20,21)/b10-7+.
What are the key properties of (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)prop-2-enamide?
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)prop-2-enamide has a molecular weight of 309.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 9191541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).