ethyl 4-acetyl-2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate

C20H23ClN2O5 — CID 8599199

IUPACethyl 4-acetyl-2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN[C@H](C)c2cccc(Cl)c2)oc(C)c1C(C)=O
InChIInChI=1S/C20H23ClN2O5/c1-5-27-20(26)18-17(12(3)24)13(4)28-19(18)23-16(25)10-22-11(2)14-7-6-8-15(21)9-14/h6-9,11,22H,5,10H2,1-4H3,(H,23,25)/t11-/m1/s1
InChIKeyIXBQQTVEWZPTNR-LLVKDONJSA-N
MW406.87 g/mol
LogP3.91
Rot. Bonds8

About ethyl 4-acetyl-2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate

ethyl 4-acetyl-2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate (PubChem CID 8599199) has the molecular formula C20H23ClN2O5 and a molecular weight of 406.87 g/mol. Its IUPAC name is ethyl 4-acetyl-2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate
PubChem CID8599199
Molecular FormulaC20H23ClN2O5
Molecular Weight406.87 g/mol
Exact Mass406.13
IUPAC Nameethyl 4-acetyl-2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN[C@H](C)c2cccc(Cl)c2)oc(C)c1C(C)=O
InChIInChI=1S/C20H23ClN2O5/c1-5-27-20(26)18-17(12(3)24)13(4)28-19(18)23-16(25)10-22-11(2)14-7-6-8-15(21)9-14/h6-9,11,22H,5,10H2,1-4H3,(H,23,25)/t11-/m1/s1
InChIKeyIXBQQTVEWZPTNR-LLVKDONJSA-N
XLogP3.91
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-acetyl-2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate with MolForge

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Related Compounds

ethyl 4-acetyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate
CID 8920771
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide
CID 9330816
ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate
CID 108763529
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 9330859
N-(2-acetylphenyl)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9331826
diethyl 2-(3,3-diphenylpropanoylamino)-5-methylfuran-3,4-dicarboxylate
CID 108739525
ethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 18194760
ethyl 4-acetyl-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 30565435
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2-methylbutan-2-yl)acetamide
CID 81371630
ethyl 4-acetyl-2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 30565483
ethyl 4-acetyl-2-(2-bromopropanoylamino)-5-methylfuran-3-carboxylate
CID 108763504
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate (CID 8599199) is ethyl 4-acetyl-2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate is CCOC(=O)c1c(NC(=O)CN[C@H](C)c2cccc(Cl)c2)oc(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate?
The InChIKey is IXBQQTVEWZPTNR-LLVKDONJSA-N. The full InChI is InChI=1S/C20H23ClN2O5/c1-5-27-20(26)18-17(12(3)24)13(4)28-19(18)23-16(25)10-22-11(2)14-7-6-8-15(21)9-14/h6-9,11,22H,5,10H2,1-4H3,(H,23,25)/t11-/m1/s1.
What are the key properties of ethyl 4-acetyl-2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate?
ethyl 4-acetyl-2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate has a molecular weight of 406.87 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate is sourced from PubChem (CID 8599199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).