ethyl 4-acetyl-5-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]furan-3-carboxylate

C22H27NO6 — CID 108741027

IUPACethyl 4-acetyl-5-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COc2cc(C)ccc2C(C)C)oc(C)c1C(C)=O
InChIInChI=1S/C22H27NO6/c1-7-27-22(26)20-19(14(5)24)15(6)29-21(20)23-18(25)11-28-17-10-13(4)8-9-16(17)12(2)3/h8-10,12H,7,11H2,1-6H3,(H,23,25)
InChIKeyVCRIJBOQIIQORT-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.42
Rot. Bonds8

About ethyl 4-acetyl-5-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]furan-3-carboxylate

ethyl 4-acetyl-5-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]furan-3-carboxylate (PubChem CID 108741027) has the molecular formula C22H27NO6 and a molecular weight of 401.46 g/mol. Its IUPAC name is ethyl 4-acetyl-5-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-5-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]furan-3-carboxylate
PubChem CID108741027
Molecular FormulaC22H27NO6
Molecular Weight401.46 g/mol
Exact Mass401.18
IUPAC Nameethyl 4-acetyl-5-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COc2cc(C)ccc2C(C)C)oc(C)c1C(C)=O
InChIInChI=1S/C22H27NO6/c1-7-27-22(26)20-19(14(5)24)15(6)29-21(20)23-18(25)11-28-17-10-13(4)8-9-16(17)12(2)3/h8-10,12H,7,11H2,1-6H3,(H,23,25)
InChIKeyVCRIJBOQIIQORT-UHFFFAOYSA-N
XLogP4.42
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-acetyl-5-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]furan-3-carboxylate with MolForge

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Related Compounds

diethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-5-methylfuran-3,4-dicarboxylate
CID 108762186
ethyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 17066452
ethyl 4-acetyl-5-methyl-2-[3-(4-methylphenoxy)propanoylamino]furan-3-carboxylate
CID 108802798
N-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7948552
N-(5-methyl-1,2-oxazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 836456
ethyl 4-acetyl-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 30565435
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenylphenyl)acetamide
CID 7929961
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
ethyl 4-acetyl-2-[[2-(4-chloro-2-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 24501589
ethyl 4-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 3620190
ethyl 4-acetyl-2-(2-bromopropanoylamino)-5-methylfuran-3-carboxylate
CID 108763504
ethyl 4-acetyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate
CID 8920771

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-5-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]furan-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-5-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]furan-3-carboxylate (CID 108741027) is ethyl 4-acetyl-5-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]furan-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-5-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]furan-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-5-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]furan-3-carboxylate is CCOC(=O)c1c(NC(=O)COc2cc(C)ccc2C(C)C)oc(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-5-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]furan-3-carboxylate?
The InChIKey is VCRIJBOQIIQORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO6/c1-7-27-22(26)20-19(14(5)24)15(6)29-21(20)23-18(25)11-28-17-10-13(4)8-9-16(17)12(2)3/h8-10,12H,7,11H2,1-6H3,(H,23,25).
What are the key properties of ethyl 4-acetyl-5-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]furan-3-carboxylate?
ethyl 4-acetyl-5-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]furan-3-carboxylate has a molecular weight of 401.46 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-5-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]furan-3-carboxylate is sourced from PubChem (CID 108741027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).