2-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]amino]-N-(1-methoxypropan-2-yl)acetamide

C23H28N2O4 — CID 78826280

IUPAC2-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]amino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H28N2O4/c1-18(17-27-2)24-23(26)16-25(12-6-9-19-7-4-3-5-8-19)20-10-11-21-22(15-20)29-14-13-28-21/h3-11,15,18H,12-14,16-17H2,1-2H3,(H,24,26)/b9-6+
InChIKeyGSPDXWUDRPCUIY-RMKNXTFCSA-N
MW396.49 g/mol
LogP3.13
Rot. Bonds9

About 2-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]amino]-N-(1-methoxypropan-2-yl)acetamide

2-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]amino]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 78826280) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]amino]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]amino]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID78826280
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]amino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H28N2O4/c1-18(17-27-2)24-23(26)16-25(12-6-9-19-7-4-3-5-8-19)20-10-11-21-22(15-20)29-14-13-28-21/h3-11,15,18H,12-14,16-17H2,1-2H3,(H,24,26)/b9-6+
InChIKeyGSPDXWUDRPCUIY-RMKNXTFCSA-N
XLogP3.13
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]amino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 78826278
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 60684179
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30252600
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]benzamide
CID 18290678
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-N-[(E)-3-phenylprop-2-enyl]-1-benzofuran-2-carboxamide
CID 18204488
N-[5-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 17459346
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-dimethyl-N-[(E)-3-phenylprop-2-enyl]pyridine-3-carboxamide
CID 55876252
1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9477506
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 55360681
2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7483930
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide
CID 51172531
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-yl)-N-[(E)-3-phenylprop-2-enyl]prop-2-enamide
CID 18276874

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]amino]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]amino]-N-(1-methoxypropan-2-yl)acetamide (CID 78826280) is 2-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]amino]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]amino]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]amino]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CN(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]amino]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is GSPDXWUDRPCUIY-RMKNXTFCSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-18(17-27-2)24-23(26)16-25(12-6-9-19-7-4-3-5-8-19)20-10-11-21-22(15-20)29-14-13-28-21/h3-11,15,18H,12-14,16-17H2,1-2H3,(H,24,26)/b9-6+.
What are the key properties of 2-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]amino]-N-(1-methoxypropan-2-yl)acetamide?
2-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]amino]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 396.49 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]amino]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 78826280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).