[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate

C15H15NO5 — CID 2098575

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NCc2ccco2)c(O)c1
InChIInChI=1S/C15H15NO5/c1-10-4-5-12(13(17)7-10)15(19)21-9-14(18)16-8-11-3-2-6-20-11/h2-7,17H,8-9H2,1H3,(H,16,18)
InChIKeyMXMRALKJHRBOJY-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.77
Rot. Bonds5

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate (PubChem CID 2098575) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
PubChem CID2098575
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NCc2ccco2)c(O)c1
InChIInChI=1S/C15H15NO5/c1-10-4-5-12(13(17)7-10)15(19)21-9-14(18)16-8-11-3-2-6-20-11/h2-7,17H,8-9H2,1H3,(H,16,18)
InChIKeyMXMRALKJHRBOJY-UHFFFAOYSA-N
XLogP1.77
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7228665
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 2365239
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2629968
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837303
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2084919
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2425711
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate
CID 7229191
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
[2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611578
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7290832
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 40624817
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methyl-1H-indole-2-carboxylate
CID 17397079

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate (CID 2098575) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)NCc2ccco2)c(O)c1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The InChIKey is MXMRALKJHRBOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-10-4-5-12(13(17)7-10)15(19)21-9-14(18)16-8-11-3-2-6-20-11/h2-7,17H,8-9H2,1H3,(H,16,18).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate has a molecular weight of 289.29 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 2098575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).