ethyl 4-acetyl-2-[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate

C20H22N2O9 — CID 27719821

IUPACethyl 4-acetyl-2-[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)CCNC(=O)c2ccco2)oc(C)c1C(C)=O
InChIInChI=1S/C20H22N2O9/c1-4-28-20(27)17-16(11(2)23)12(3)31-19(17)22-14(24)10-30-15(25)7-8-21-18(26)13-6-5-9-29-13/h5-6,9H,4,7-8,10H2,1-3H3,(H,21,26)(H,22,24)
InChIKeyVHRFKLHRTHEBMS-UHFFFAOYSA-N
MW434.40 g/mol
LogP1.86
Rot. Bonds10

About ethyl 4-acetyl-2-[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate

ethyl 4-acetyl-2-[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate (PubChem CID 27719821) has the molecular formula C20H22N2O9 and a molecular weight of 434.40 g/mol. Its IUPAC name is ethyl 4-acetyl-2-[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-2-[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate
PubChem CID27719821
Molecular FormulaC20H22N2O9
Molecular Weight434.40 g/mol
Exact Mass434.13
IUPAC Nameethyl 4-acetyl-2-[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)CCNC(=O)c2ccco2)oc(C)c1C(C)=O
InChIInChI=1S/C20H22N2O9/c1-4-28-20(27)17-16(11(2)23)12(3)31-19(17)22-14(24)10-30-15(25)7-8-21-18(26)13-6-5-9-29-13/h5-6,9H,4,7-8,10H2,1-3H3,(H,21,26)(H,22,24)
InChIKeyVHRFKLHRTHEBMS-UHFFFAOYSA-N
XLogP1.86
TPSA154.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 4-acetyl-2-[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate with MolForge

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Related Compounds

ethyl 4-acetyl-2-[[2-[3-(2-fluorophenyl)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate
CID 8514453
ethyl 4-acetyl-5-methyl-2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]furan-3-carboxylate
CID 7601452
ethyl 4-acetyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate
CID 8920771
ethyl 4-acetyl-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 30565435
ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate
CID 108763529
ethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 18194760
ethyl 4-acetyl-2-[[2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 7715939
[2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909175
methyl 4-[[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]methyl]benzoate
CID 7909212
ethyl 4-acetyl-5-methyl-2-[[2-[(E)-3-(4-methylphenyl)prop-2-enoyl]oxyacetyl]amino]furan-3-carboxylate
CID 7715496
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7908965
ethyl 4-acetyl-2-[[2-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 8925586

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-2-[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-2-[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate (CID 27719821) is ethyl 4-acetyl-2-[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-2-[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-2-[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate is CCOC(=O)c1c(NC(=O)COC(=O)CCNC(=O)c2ccco2)oc(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-2-[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate?
The InChIKey is VHRFKLHRTHEBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O9/c1-4-28-20(27)17-16(11(2)23)12(3)31-19(17)22-14(24)10-30-15(25)7-8-21-18(26)13-6-5-9-29-13/h5-6,9H,4,7-8,10H2,1-3H3,(H,21,26)(H,22,24).
What are the key properties of ethyl 4-acetyl-2-[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate?
ethyl 4-acetyl-2-[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate has a molecular weight of 434.40 g/mol, XLogP of 1.86, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-2-[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]-5-methylfuran-3-carboxylate is sourced from PubChem (CID 27719821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).