(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-naphthalen-1-ylprop-2-enamide

C21H17NO3 — CID 24592371

IUPAC(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H17NO3/c23-21(22-17-9-10-19-20(14-17)25-13-12-24-19)11-8-16-6-3-5-15-4-1-2-7-18(15)16/h1-11,14H,12-13H2,(H,22,23)/b11-8+
InChIKeyLQVRDPOYYCPZCY-DHZHZOJOSA-N
MW331.37 g/mol
LogP4.26
Rot. Bonds3

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

(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-naphthalen-1-ylprop-2-enamide (PubChem CID 24592371) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-naphthalen-1-ylprop-2-enamide
PubChem CID24592371
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H17NO3/c23-21(22-17-9-10-19-20(14-17)25-13-12-24-19)11-8-16-6-3-5-15-4-1-2-7-18(15)16/h1-11,14H,12-13H2,(H,22,23)/b11-8+
InChIKeyLQVRDPOYYCPZCY-DHZHZOJOSA-N
XLogP4.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.26
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-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-naphthalen-1-ylprop-2-enamide (CID 24592371) is (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-naphthalen-1-ylprop-2-enamide is O=C(/C=C/c1cccc2ccccc12)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is LQVRDPOYYCPZCY-DHZHZOJOSA-N. The full InChI is InChI=1S/C21H17NO3/c23-21(22-17-9-10-19-20(14-17)25-13-12-24-19)11-8-16-6-3-5-15-4-1-2-7-18(15)16/h1-11,14H,12-13H2,(H,22,23)/b11-8+.
What are the key properties of (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-naphthalen-1-ylprop-2-enamide?
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 331.37 g/mol, XLogP of 4.26, 3 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-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 24592371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).