methyl 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoate

C15H21NO4 — CID 63949104

IUPACmethyl 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoate
SMILESCCCNC1COc2cc(OCCC(=O)OC)ccc21
InChIInChI=1S/C15H21NO4/c1-3-7-16-13-10-20-14-9-11(4-5-12(13)14)19-8-6-15(17)18-2/h4-5,9,13,16H,3,6-8,10H2,1-2H3
InChIKeyNKGGJUOPZASNNN-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.06
Rot. Bonds7

About methyl 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoate

methyl 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoate (PubChem CID 63949104) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoate
PubChem CID63949104
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoate
SMILESCCCNC1COc2cc(OCCC(=O)OC)ccc21
InChIInChI=1S/C15H21NO4/c1-3-7-16-13-10-20-14-9-11(4-5-12(13)14)19-8-6-15(17)18-2/h4-5,9,13,16H,3,6-8,10H2,1-2H3
InChIKeyNKGGJUOPZASNNN-UHFFFAOYSA-N
XLogP2.06
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoate with MolForge

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Related Compounds

3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanamide
CID 63097104
6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 63095875
2-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoic acid
CID 55182410
N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63097103
N-propyl-6-prop-2-ynoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63096581
N-propyl-6-(2-pyrazol-1-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63096227
2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-propylacetamide
CID 63094817
6-(oxolan-3-ylmethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 63096050
N-methyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63095165
N-propyl-6-(1,3-thiazol-4-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63094821
N-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63095519
N-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 64553942

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoate?
The IUPAC name of methyl 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoate (CID 63949104) is methyl 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoate.
What is the SMILES notation for methyl 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoate?
The canonical SMILES for methyl 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoate is CCCNC1COc2cc(OCCC(=O)OC)ccc21.
What is the InChIKey of methyl 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoate?
The InChIKey is NKGGJUOPZASNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-7-16-13-10-20-14-9-11(4-5-12(13)14)19-8-6-15(17)18-2/h4-5,9,13,16H,3,6-8,10H2,1-2H3.
What are the key properties of methyl 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoate?
methyl 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoate has a molecular weight of 279.34 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoate is sourced from PubChem (CID 63949104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).