3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-2-methylbenzoic acid

C15H15NO5 — CID 82810339

IUPAC3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-2-methylbenzoic acid
SMILESCc1c(OCC(=O)NCc2ccco2)cccc1C(=O)O
InChIInChI=1S/C15H15NO5/c1-10-12(15(18)19)5-2-6-13(10)21-9-14(17)16-8-11-4-3-7-20-11/h2-7H,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyLEZHCVYDWVXFFT-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.98
Rot. Bonds6

About 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-2-methylbenzoic acid

3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-2-methylbenzoic acid (PubChem CID 82810339) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-2-methylbenzoic acid
PubChem CID82810339
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-2-methylbenzoic acid
SMILESCc1c(OCC(=O)NCc2ccco2)cccc1C(=O)O
InChIInChI=1S/C15H15NO5/c1-10-12(15(18)19)5-2-6-13(10)21-9-14(17)16-8-11-4-3-7-20-11/h2-7H,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyLEZHCVYDWVXFFT-UHFFFAOYSA-N
XLogP1.98
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide
CID 9081252
2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112774601
2-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(3-methylsulfanylphenyl)benzamide
CID 100818248
2-(3-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112977702
2-[[2-(2-benzylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 18118989
N-(furan-2-ylmethyl)-2-(4-methylpyrimidin-2-yl)oxyacetamide
CID 121086734
2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide
CID 2151971
2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 51141583
3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide
CID 7893615
2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 692240
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide
CID 34239119
methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate
CID 7671527

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-2-methylbenzoic acid?
The IUPAC name of 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-2-methylbenzoic acid (CID 82810339) is 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-2-methylbenzoic acid.
What is the SMILES notation for 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-2-methylbenzoic acid?
The canonical SMILES for 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-2-methylbenzoic acid is Cc1c(OCC(=O)NCc2ccco2)cccc1C(=O)O.
What is the InChIKey of 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-2-methylbenzoic acid?
The InChIKey is LEZHCVYDWVXFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-10-12(15(18)19)5-2-6-13(10)21-9-14(17)16-8-11-4-3-7-20-11/h2-7H,8-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-2-methylbenzoic acid?
3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-2-methylbenzoic acid has a molecular weight of 289.29 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-2-methylbenzoic acid is sourced from PubChem (CID 82810339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).