2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide

C13H16N2O4 — CID 112672661

IUPAC2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide
SMILESCOc1cccc2cc(C(C)NOCC(N)=O)oc12
InChIInChI=1S/C13H16N2O4/c1-8(15-18-7-12(14)16)11-6-9-4-3-5-10(17-2)13(9)19-11/h3-6,8,15H,7H2,1-2H3,(H2,14,16)
InChIKeyMQOBRJZLADKQAA-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.51
Rot. Bonds6

About 2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide

2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide (PubChem CID 112672661) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide.

Molecular Properties

Compound Name2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide
PubChem CID112672661
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide
SMILESCOc1cccc2cc(C(C)NOCC(N)=O)oc12
InChIInChI=1S/C13H16N2O4/c1-8(15-18-7-12(14)16)11-6-9-4-3-5-10(17-2)13(9)19-11/h3-6,8,15H,7H2,1-2H3,(H2,14,16)
InChIKeyMQOBRJZLADKQAA-UHFFFAOYSA-N
XLogP1.51
TPSA86.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine
CID 82715428
(2S)-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-methylbutan-1-ol
CID 79253278
3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
CID 55588613
6-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]pyrazine-2-carboxamide
CID 97221820
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine
CID 104578626
cis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 51671753
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55588029
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115905866
2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol
CID 103935727
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-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]acetamide
CID 33001757

Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide?
The IUPAC name of 2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide (CID 112672661) is 2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide.
What is the SMILES notation for 2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide?
The canonical SMILES for 2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide is COc1cccc2cc(C(C)NOCC(N)=O)oc12.
What is the InChIKey of 2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide?
The InChIKey is MQOBRJZLADKQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8(15-18-7-12(14)16)11-6-9-4-3-5-10(17-2)13(9)19-11/h3-6,8,15H,7H2,1-2H3,(H2,14,16).
What are the key properties of 2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide?
2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide has a molecular weight of 264.28 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide is sourced from PubChem (CID 112672661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).