methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate

C15H15NO5 — CID 7671527

IUPACmethyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate
SMILESCOC(=O)c1cccc(OCC(=O)NCc2ccco2)c1
InChIInChI=1S/C15H15NO5/c1-19-15(18)11-4-2-5-12(8-11)21-10-14(17)16-9-13-6-3-7-20-13/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyCQNGUXSDKDFPNN-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.76
Rot. Bonds6

About methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate

methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate (PubChem CID 7671527) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate
PubChem CID7671527
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Namemethyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate
SMILESCOC(=O)c1cccc(OCC(=O)NCc2ccco2)c1
InChIInChI=1S/C15H15NO5/c1-19-15(18)11-4-2-5-12(8-11)21-10-14(17)16-9-13-6-3-7-20-13/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyCQNGUXSDKDFPNN-UHFFFAOYSA-N
XLogP1.76
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112977702
2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 51141583
N-(furan-2-ylmethyl)-2-quinoxalin-6-yloxyacetamide
CID 51362583
methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7705969
2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 30039326
2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 692240
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9079933
N-[2-(furan-2-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 110733552
2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2707681
N-(furan-2-ylmethyl)-3-(3-methylbutoxy)benzamide
CID 4981718
N-(furan-2-ylmethyl)-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide
CID 95973166
N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94878119

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate?
The IUPAC name of methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate (CID 7671527) is methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate is COC(=O)c1cccc(OCC(=O)NCc2ccco2)c1.
What is the InChIKey of methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate?
The InChIKey is CQNGUXSDKDFPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-19-15(18)11-4-2-5-12(8-11)21-10-14(17)16-9-13-6-3-7-20-13/h2-8H,9-10H2,1H3,(H,16,17).
What are the key properties of methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate?
methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate has a molecular weight of 289.29 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 7671527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).