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

C20H21NO3 — CID 6187443

IUPAC(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H21NO3/c1-14(2)16-6-3-15(4-7-16)5-10-20(22)21-17-8-9-18-19(13-17)24-12-11-23-18/h3-10,13-14H,11-12H2,1-2H3,(H,21,22)/b10-5+
InChIKeySFENXHDDTGTDQM-BJMVGYQFSA-N
MW323.39 g/mol
LogP4.23
Rot. Bonds4

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

(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 6187443) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID6187443
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H21NO3/c1-14(2)16-6-3-15(4-7-16)5-10-20(22)21-17-8-9-18-19(13-17)24-12-11-23-18/h3-10,13-14H,11-12H2,1-2H3,(H,21,22)/b10-5+
InChIKeySFENXHDDTGTDQM-BJMVGYQFSA-N
XLogP4.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.23
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-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 6187443) is (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide is CC(C)c1ccc(/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-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is SFENXHDDTGTDQM-BJMVGYQFSA-N. The full InChI is InChI=1S/C20H21NO3/c1-14(2)16-6-3-15(4-7-16)5-10-20(22)21-17-8-9-18-19(13-17)24-12-11-23-18/h3-10,13-14H,11-12H2,1-2H3,(H,21,22)/b10-5+.
What are the key properties of (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 323.39 g/mol, XLogP of 4.23, 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-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 6187443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).