ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate

C14H19NO4 — CID 115257414

IUPACethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO4/c1-3-17-14(16)10-15(2)9-11-4-5-12-13(8-11)19-7-6-18-12/h4-5,8H,3,6-7,9-10H2,1-2H3
InChIKeyCADPUOVFEWKLMV-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.45
Rot. Bonds5

About ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate

ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate (PubChem CID 115257414) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate
PubChem CID115257414
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO4/c1-3-17-14(16)10-15(2)9-11-4-5-12-13(8-11)19-7-6-18-12/h4-5,8H,3,6-7,9-10H2,1-2H3
InChIKeyCADPUOVFEWKLMV-UHFFFAOYSA-N
XLogP1.45
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate
CID 115232427
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-ethyl-N-naphthalen-1-ylacetamide
CID 26517307
ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate
CID 115257264
3-O-[[24-[(3-ethoxy-3-oxopropanoyl)oxymethyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl] 1-O-ethyl propanedioate
CID 102302863
ethyl 2-[1,3-benzodioxol-5-ylmethyl(cyclopropyl)amino]acetate
CID 62027413
ethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate
CID 63380673
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-phenylacetamide
CID 31380025
ethyl 6-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 33061600
ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-(2-ethoxy-2-oxoethyl)amino]naphthalen-1-yl]amino]acetate
CID 164958145
ethane;ethyl 2-[(2-ethoxy-2-oxoethyl)-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)amino]acetate
CID 142832224
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(4-methoxyphenyl)acetamide
CID 31379973
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 78811641

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate?
The IUPAC name of ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate (CID 115257414) is ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate.
What is the SMILES notation for ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate?
The canonical SMILES for ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate is CCOC(=O)CN(C)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate?
The InChIKey is CADPUOVFEWKLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-17-14(16)10-15(2)9-11-4-5-12-13(8-11)19-7-6-18-12/h4-5,8H,3,6-7,9-10H2,1-2H3.
What are the key properties of ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate?
ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate has a molecular weight of 265.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate is sourced from PubChem (CID 115257414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).