ethyl 4-acetyl-5-methyl-2-[[2-[2-(oxolan-2-ylmethoxy)benzoyl]oxyacetyl]amino]furan-3-carboxylate

C24H27NO9 — CID 43035918

IUPACethyl 4-acetyl-5-methyl-2-[[2-[2-(oxolan-2-ylmethoxy)benzoyl]oxyacetyl]amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)c2ccccc2OCC2CCCO2)oc(C)c1C(C)=O
InChIInChI=1S/C24H27NO9/c1-4-30-24(29)21-20(14(2)26)15(3)34-22(21)25-19(27)13-33-23(28)17-9-5-6-10-18(17)32-12-16-8-7-11-31-16/h5-6,9-10,16H,4,7-8,11-13H2,1-3H3,(H,25,27)
InChIKeyNZYQGGQLKWWRED-UHFFFAOYSA-N
MW473.48 g/mol
LogP3.32
Rot. Bonds10

About ethyl 4-acetyl-5-methyl-2-[[2-[2-(oxolan-2-ylmethoxy)benzoyl]oxyacetyl]amino]furan-3-carboxylate

ethyl 4-acetyl-5-methyl-2-[[2-[2-(oxolan-2-ylmethoxy)benzoyl]oxyacetyl]amino]furan-3-carboxylate (PubChem CID 43035918) has the molecular formula C24H27NO9 and a molecular weight of 473.48 g/mol. Its IUPAC name is ethyl 4-acetyl-5-methyl-2-[[2-[2-(oxolan-2-ylmethoxy)benzoyl]oxyacetyl]amino]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-5-methyl-2-[[2-[2-(oxolan-2-ylmethoxy)benzoyl]oxyacetyl]amino]furan-3-carboxylate
PubChem CID43035918
Molecular FormulaC24H27NO9
Molecular Weight473.48 g/mol
Exact Mass473.17
IUPAC Nameethyl 4-acetyl-5-methyl-2-[[2-[2-(oxolan-2-ylmethoxy)benzoyl]oxyacetyl]amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)c2ccccc2OCC2CCCO2)oc(C)c1C(C)=O
InChIInChI=1S/C24H27NO9/c1-4-30-24(29)21-20(14(2)26)15(3)34-22(21)25-19(27)13-33-23(28)17-9-5-6-10-18(17)32-12-16-8-7-11-31-16/h5-6,9-10,16H,4,7-8,11-13H2,1-3H3,(H,25,27)
InChIKeyNZYQGGQLKWWRED-UHFFFAOYSA-N
XLogP3.32
TPSA130.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 4-acetyl-5-methyl-2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]furan-3-carboxylate
CID 7601452
ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate
CID 9202543
ethyl 4-acetyl-2-[[2-(2-bromo-4-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 55393570
ethyl 2-amino-3-(oxan-2-ylmethoxy)benzoate
CID 61375362
ethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 18194760
ethyl 4-acetyl-5-methyl-2-[[2-(2-methyl-2-phenylpropanoyl)oxyacetyl]amino]furan-3-carboxylate
CID 8641258
[2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 30565474
ethyl 4-acetyl-2-[[2-(4-chloro-2-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 24501589
(4-acetylphenyl) 2-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 27147014
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate
CID 8733265
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzoate
CID 8733260
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-5-methyl-2-[[2-[2-(oxolan-2-ylmethoxy)benzoyl]oxyacetyl]amino]furan-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-5-methyl-2-[[2-[2-(oxolan-2-ylmethoxy)benzoyl]oxyacetyl]amino]furan-3-carboxylate (CID 43035918) is ethyl 4-acetyl-5-methyl-2-[[2-[2-(oxolan-2-ylmethoxy)benzoyl]oxyacetyl]amino]furan-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-5-methyl-2-[[2-[2-(oxolan-2-ylmethoxy)benzoyl]oxyacetyl]amino]furan-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-5-methyl-2-[[2-[2-(oxolan-2-ylmethoxy)benzoyl]oxyacetyl]amino]furan-3-carboxylate is CCOC(=O)c1c(NC(=O)COC(=O)c2ccccc2OCC2CCCO2)oc(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-5-methyl-2-[[2-[2-(oxolan-2-ylmethoxy)benzoyl]oxyacetyl]amino]furan-3-carboxylate?
The InChIKey is NZYQGGQLKWWRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO9/c1-4-30-24(29)21-20(14(2)26)15(3)34-22(21)25-19(27)13-33-23(28)17-9-5-6-10-18(17)32-12-16-8-7-11-31-16/h5-6,9-10,16H,4,7-8,11-13H2,1-3H3,(H,25,27).
What are the key properties of ethyl 4-acetyl-5-methyl-2-[[2-[2-(oxolan-2-ylmethoxy)benzoyl]oxyacetyl]amino]furan-3-carboxylate?
ethyl 4-acetyl-5-methyl-2-[[2-[2-(oxolan-2-ylmethoxy)benzoyl]oxyacetyl]amino]furan-3-carboxylate has a molecular weight of 473.48 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-5-methyl-2-[[2-[2-(oxolan-2-ylmethoxy)benzoyl]oxyacetyl]amino]furan-3-carboxylate is sourced from PubChem (CID 43035918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).