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

C18H17NO4 — CID 734190

IUPAC(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H17NO4/c1-21-15-5-3-2-4-13(15)6-9-18(20)19-14-7-8-16-17(12-14)23-11-10-22-16/h2-9,12H,10-11H2,1H3,(H,19,20)/b9-6+
InChIKeyMEOGKJOTLWVCRS-RMKNXTFCSA-N
MW311.34 g/mol
LogP3.12
Rot. Bonds4

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

(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 734190) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID734190
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H17NO4/c1-21-15-5-3-2-4-13(15)6-9-18(20)19-14-7-8-16-17(12-14)23-11-10-22-16/h2-9,12H,10-11H2,1H3,(H,19,20)/b9-6+
InChIKeyMEOGKJOTLWVCRS-RMKNXTFCSA-N
XLogP3.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)prop-2-enamide (CID 734190) is (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1/C=C/C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is MEOGKJOTLWVCRS-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H17NO4/c1-21-15-5-3-2-4-13(15)6-9-18(20)19-14-7-8-16-17(12-14)23-11-10-22-16/h2-9,12H,10-11H2,1H3,(H,19,20)/b9-6+.
What are the key properties of (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 311.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 734190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).