2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol

C16H23NO4 — CID 103935727

IUPAC2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NC(C)c1cc2cccc(OC)c2o1
InChIInChI=1S/C16H23NO4/c1-4-16(9-18,10-19)17-11(2)14-8-12-6-5-7-13(20-3)15(12)21-14/h5-8,11,17-19H,4,9-10H2,1-3H3
InChIKeyALUCSFWBAHKKET-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.23
Rot. Bonds7

About 2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol

2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol (PubChem CID 103935727) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol
PubChem CID103935727
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NC(C)c1cc2cccc(OC)c2o1
InChIInChI=1S/C16H23NO4/c1-4-16(9-18,10-19)17-11(2)14-8-12-6-5-7-13(20-3)15(12)21-14/h5-8,11,17-19H,4,9-10H2,1-3H3
InChIKeyALUCSFWBAHKKET-UHFFFAOYSA-N
XLogP2.23
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol with MolForge

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Related Compounds

(2S)-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-methylbutan-1-ol
CID 79253278
3,3,3-trifluoro-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63225887
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine
CID 104578626
N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine
CID 43244143
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine
CID 43200727
1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine
CID 82715428
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115905866
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylbutan-2-amine
CID 115906657
2-[[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 175069255
1-(7-methoxy-1-benzofuran-2-yl)propan-1-amine
CID 65438646
2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide
CID 112672661
(2R)-2-(furan-2-yl)-1-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]propan-2-ol
CID 97336246

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol (CID 103935727) is 2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol is CCC(CO)(CO)NC(C)c1cc2cccc(OC)c2o1.
What is the InChIKey of 2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol?
The InChIKey is ALUCSFWBAHKKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-16(9-18,10-19)17-11(2)14-8-12-6-5-7-13(20-3)15(12)21-14/h5-8,11,17-19H,4,9-10H2,1-3H3.
What are the key properties of 2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol?
2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol has a molecular weight of 293.36 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol is sourced from PubChem (CID 103935727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).