[2-(2-methylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate

C15H15NO4 — CID 8965756

IUPAC[2-(2-methylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCc1ccccc1NC(=O)COC(=O)c1ccoc1C
InChIInChI=1S/C15H15NO4/c1-10-5-3-4-6-13(10)16-14(17)9-20-15(18)12-7-8-19-11(12)2/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyRUVGKBXKJAGNIL-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.69
Rot. Bonds4

About [2-(2-methylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate

[2-(2-methylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate (PubChem CID 8965756) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
PubChem CID8965756
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCc1ccccc1NC(=O)COC(=O)c1ccoc1C
InChIInChI=1S/C15H15NO4/c1-10-5-3-4-6-13(10)16-14(17)9-20-15(18)12-7-8-19-11(12)2/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyRUVGKBXKJAGNIL-UHFFFAOYSA-N
XLogP2.69
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8966145
[2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2715820
[2-(4-carbamoylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7662936
[2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8967009
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 27625804
[2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2353601
[2-(2-methylanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149309
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-methylfuran-3-carboxylate
CID 3900377
[2-(3-cyanoanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8966209
[2-(2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8543923
[2-(2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2378879
[2-(2-methylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538290

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate (CID 8965756) is [2-(2-methylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate is Cc1ccccc1NC(=O)COC(=O)c1ccoc1C.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The InChIKey is RUVGKBXKJAGNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-10-5-3-4-6-13(10)16-14(17)9-20-15(18)12-7-8-19-11(12)2/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
[2-(2-methylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate is sourced from PubChem (CID 8965756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).