2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-N-prop-2-enylacetamide

C15H20N2O3 — CID 47007130

IUPAC2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNC(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H20N2O3/c1-3-6-16-15(18)10-17-11(2)12-4-5-13-14(9-12)20-8-7-19-13/h3-5,9,11,17H,1,6-8,10H2,2H3,(H,16,18)
InChIKeyGWXKVWRRKHSGMO-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.41
Rot. Bonds6

About 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-N-prop-2-enylacetamide

2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-N-prop-2-enylacetamide (PubChem CID 47007130) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-N-prop-2-enylacetamide
PubChem CID47007130
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNC(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H20N2O3/c1-3-6-16-15(18)10-17-11(2)12-4-5-13-14(9-12)20-8-7-19-13/h3-5,9,11,17H,1,6-8,10H2,2H3,(H,16,18)
InChIKeyGWXKVWRRKHSGMO-UHFFFAOYSA-N
XLogP1.41
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(prop-2-enylamino)acetamide
CID 20994890
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(prop-2-enylamino)acetamide
CID 51653519
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide
CID 43567784
2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 25475559
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(prop-2-enylamino)propan-1-ol
CID 82313568
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
CID 8637382
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
CID 8637387
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115900436
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpropan-1-amine
CID 43177362
3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81411928
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide
CID 43310888
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-ethenoxypropan-1-amine
CID 43207293

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-N-prop-2-enylacetamide (CID 47007130) is 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-N-prop-2-enylacetamide is C=CCNC(=O)CNC(C)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-N-prop-2-enylacetamide?
The InChIKey is GWXKVWRRKHSGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-6-16-15(18)10-17-11(2)12-4-5-13-14(9-12)20-8-7-19-13/h3-5,9,11,17H,1,6-8,10H2,2H3,(H,16,18).
What are the key properties of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-N-prop-2-enylacetamide?
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-N-prop-2-enylacetamide has a molecular weight of 276.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-N-prop-2-enylacetamide is sourced from PubChem (CID 47007130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).