ethyl 4-acetyl-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-methylfuran-3-carboxylate

C18H24N2O6 — CID 108741022

IUPACethyl 4-acetyl-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2CCN(C(C)=O)CC2)oc(C)c1C(C)=O
InChIInChI=1S/C18H24N2O6/c1-5-25-18(24)15-14(10(2)21)11(3)26-17(15)19-16(23)13-6-8-20(9-7-13)12(4)22/h13H,5-9H2,1-4H3,(H,19,23)
InChIKeyTVEVEJDNGJICCB-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.16
Rot. Bonds5

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

ethyl 4-acetyl-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-methylfuran-3-carboxylate (PubChem CID 108741022) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is ethyl 4-acetyl-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-methylfuran-3-carboxylate
PubChem CID108741022
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Nameethyl 4-acetyl-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2CCN(C(C)=O)CC2)oc(C)c1C(C)=O
InChIInChI=1S/C18H24N2O6/c1-5-25-18(24)15-14(10(2)21)11(3)26-17(15)19-16(23)13-6-8-20(9-7-13)12(4)22/h13H,5-9H2,1-4H3,(H,19,23)
InChIKeyTVEVEJDNGJICCB-UHFFFAOYSA-N
XLogP2.16
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-4-carbamoyl-2-methylfuran-3-carboxylate
CID 108733749
ethyl 4-acetyl-2-(2-bromopropanoylamino)-5-methylfuran-3-carboxylate
CID 108763504
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
ethyl 4-acetyl-2-(cyclohexylcarbamothioylamino)-5-methylfuran-3-carboxylate
CID 108782926
ethyl 4-acetyl-5-methyl-2-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]furan-3-carboxylate
CID 17308546
diethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762179
ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 6465805
ethyl 4-acetyl-2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 8639630
ethyl 4-acetyl-2-[[2-[(1R)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 8639625
N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 108740727
diethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate
CID 108782631
ethyl 4-acetyl-5-methyl-2-(phenylcarbamothioylamino)furan-3-carboxylate
CID 108782925

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-methylfuran-3-carboxylate (CID 108741022) is ethyl 4-acetyl-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-methylfuran-3-carboxylate is CCOC(=O)c1c(NC(=O)C2CCN(C(C)=O)CC2)oc(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-methylfuran-3-carboxylate?
The InChIKey is TVEVEJDNGJICCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-5-25-18(24)15-14(10(2)21)11(3)26-17(15)19-16(23)13-6-8-20(9-7-13)12(4)22/h13H,5-9H2,1-4H3,(H,19,23).
What are the key properties of ethyl 4-acetyl-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-methylfuran-3-carboxylate?
ethyl 4-acetyl-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-methylfuran-3-carboxylate has a molecular weight of 364.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-methylfuran-3-carboxylate is sourced from PubChem (CID 108741022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).