[2-(2-ethoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

C17H19NO5 — CID 2435693

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1cc(C)oc1C
InChIInChI=1S/C17H19NO5/c1-4-21-15-8-6-5-7-14(15)18-16(19)10-22-17(20)13-9-11(2)23-12(13)3/h5-9H,4,10H2,1-3H3,(H,18,19)
InChIKeySZRLMIPYRQNHND-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.09
Rot. Bonds6

About [2-(2-ethoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

[2-(2-ethoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 2435693) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID2435693
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1cc(C)oc1C
InChIInChI=1S/C17H19NO5/c1-4-21-15-8-6-5-7-14(15)18-16(19)10-22-17(20)13-9-11(2)23-12(13)3/h5-9H,4,10H2,1-3H3,(H,18,19)
InChIKeySZRLMIPYRQNHND-UHFFFAOYSA-N
XLogP3.09
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (CID 2435693) is [2-(2-ethoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is CCOc1ccccc1NC(=O)COC(=O)c1cc(C)oc1C.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is SZRLMIPYRQNHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-4-21-15-8-6-5-7-14(15)18-16(19)10-22-17(20)13-9-11(2)23-12(13)3/h5-9H,4,10H2,1-3H3,(H,18,19).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
[2-(2-ethoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 317.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 2435693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).