ethyl 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]propanoate

C17H23NO3 — CID 61498346

IUPACethyl 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]propanoate
SMILESCCOC(=O)C(C)NC(C)c1oc2ccccc2c1CC
InChIInChI=1S/C17H23NO3/c1-5-13-14-9-7-8-10-15(14)21-16(13)11(3)18-12(4)17(19)20-6-2/h7-12,18H,5-6H2,1-4H3
InChIKeyXRSHHEHPPJLUJO-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.60
Rot. Bonds6

About ethyl 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]propanoate

ethyl 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]propanoate (PubChem CID 61498346) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]propanoate
PubChem CID61498346
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nameethyl 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]propanoate
SMILESCCOC(=O)C(C)NC(C)c1oc2ccccc2c1CC
InChIInChI=1S/C17H23NO3/c1-5-13-14-9-7-8-10-15(14)21-16(13)11(3)18-12(4)17(19)20-6-2/h7-12,18H,5-6H2,1-4H3
InChIKeyXRSHHEHPPJLUJO-UHFFFAOYSA-N
XLogP3.60
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide
CID 43567237
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103922087
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide
CID 43778207
3-(3-ethyl-1-benzofuran-2-yl)butanoic acid
CID 43211333
2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
CID 43551834
2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43207567
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43099760
N,N-dimethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide
CID 43778106
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine
CID 55067360
3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103921055
ethyl 2-[1-(furan-2-yl)ethylamino]propanoate
CID 61498285
N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine
CID 43108977

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]propanoate?
The IUPAC name of ethyl 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]propanoate (CID 61498346) is ethyl 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]propanoate.
What is the SMILES notation for ethyl 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]propanoate?
The canonical SMILES for ethyl 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]propanoate is CCOC(=O)C(C)NC(C)c1oc2ccccc2c1CC.
What is the InChIKey of ethyl 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]propanoate?
The InChIKey is XRSHHEHPPJLUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-5-13-14-9-7-8-10-15(14)21-16(13)11(3)18-12(4)17(19)20-6-2/h7-12,18H,5-6H2,1-4H3.
What are the key properties of ethyl 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]propanoate?
ethyl 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]propanoate has a molecular weight of 289.38 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]propanoate is sourced from PubChem (CID 61498346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).