[2-(4-acetylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate

C18H17NO6 — CID 24533770

IUPAC[2-(4-acetylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)c2c(C)cc(=O)oc2C)cc1
InChIInChI=1S/C18H17NO6/c1-10-8-16(22)25-12(3)17(10)18(23)24-9-15(21)19-14-6-4-13(5-7-14)11(2)20/h4-8H,9H2,1-3H3,(H,19,21)
InChIKeyXVSIYBUUINYYKE-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.25
Rot. Bonds5

About [2-(4-acetylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate

[2-(4-acetylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate (PubChem CID 24533770) has the molecular formula C18H17NO6 and a molecular weight of 343.34 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
PubChem CID24533770
Molecular FormulaC18H17NO6
Molecular Weight343.34 g/mol
Exact Mass343.11
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)c2c(C)cc(=O)oc2C)cc1
InChIInChI=1S/C18H17NO6/c1-10-8-16(22)25-12(3)17(10)18(23)24-9-15(21)19-14-6-4-13(5-7-14)11(2)20/h4-8H,9H2,1-3H3,(H,19,21)
InChIKeyXVSIYBUUINYYKE-UHFFFAOYSA-N
XLogP2.25
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 18123459
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 24533769
methyl 4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate
CID 110699348
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 33274738
N-(4-acetylphenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
CID 4901462
[2-(4-acetylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727457
[2-(4-acetylanilino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648305
[2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 2628003
[2-(4-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578372
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 33273438
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 55460100
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate (CID 24533770) is [2-(4-acetylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate is CC(=O)c1ccc(NC(=O)COC(=O)c2c(C)cc(=O)oc2C)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
The InChIKey is XVSIYBUUINYYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6/c1-10-8-16(22)25-12(3)17(10)18(23)24-9-15(21)19-14-6-4-13(5-7-14)11(2)20/h4-8H,9H2,1-3H3,(H,19,21).
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
[2-(4-acetylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate has a molecular weight of 343.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate is sourced from PubChem (CID 24533770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).