[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate

C16H15NO6 — CID 2635522

IUPAC[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)c1ccc(C)o1
InChIInChI=1S/C16H15NO6/c1-10-7-8-13(23-10)16(20)22-9-14(18)17-15(19)11-5-3-4-6-12(11)21-2/h3-8H,9H2,1-2H3,(H,17,18,19)
InChIKeyDIEHLBDYGRLIQW-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.71
Rot. Bonds5

About [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate (PubChem CID 2635522) has the molecular formula C16H15NO6 and a molecular weight of 317.30 g/mol. Its IUPAC name is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate
PubChem CID2635522
Molecular FormulaC16H15NO6
Molecular Weight317.30 g/mol
Exact Mass317.09
IUPAC Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)c1ccc(C)o1
InChIInChI=1S/C16H15NO6/c1-10-7-8-13(23-10)16(20)22-9-14(18)17-15(19)11-5-3-4-6-12(11)21-2/h3-8H,9H2,1-2H3,(H,17,18,19)
InChIKeyDIEHLBDYGRLIQW-UHFFFAOYSA-N
XLogP1.71
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2590779
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 2624849
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2515349
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7776378
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2630390
2-methoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 868019
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 2558836
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672366
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561837
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 39415072
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methoxybenzoate
CID 7891349
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535883

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate?
The IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate (CID 2635522) is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate.
What is the SMILES notation for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate?
The canonical SMILES for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate is COc1ccccc1C(=O)NC(=O)COC(=O)c1ccc(C)o1.
What is the InChIKey of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate?
The InChIKey is DIEHLBDYGRLIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO6/c1-10-7-8-13(23-10)16(20)22-9-14(18)17-15(19)11-5-3-4-6-12(11)21-2/h3-8H,9H2,1-2H3,(H,17,18,19).
What are the key properties of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate?
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate has a molecular weight of 317.30 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate is sourced from PubChem (CID 2635522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).