4-acetyl-2-[[2-(2-methoxyethoxy)acetyl]amino]-5-methylfuran-3-carboxamide

C13H18N2O6 — CID 108740663

IUPAC4-acetyl-2-[[2-(2-methoxyethoxy)acetyl]amino]-5-methylfuran-3-carboxamide
SMILESCOCCOCC(=O)Nc1oc(C)c(C(C)=O)c1C(N)=O
InChIInChI=1S/C13H18N2O6/c1-7(16)10-8(2)21-13(11(10)12(14)18)15-9(17)6-20-5-4-19-3/h4-6H2,1-3H3,(H2,14,18)(H,15,17)
InChIKeyOTLZEJBPQOESNE-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.49
Rot. Bonds8

About 4-acetyl-2-[[2-(2-methoxyethoxy)acetyl]amino]-5-methylfuran-3-carboxamide

4-acetyl-2-[[2-(2-methoxyethoxy)acetyl]amino]-5-methylfuran-3-carboxamide (PubChem CID 108740663) has the molecular formula C13H18N2O6 and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-acetyl-2-[[2-(2-methoxyethoxy)acetyl]amino]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound Name4-acetyl-2-[[2-(2-methoxyethoxy)acetyl]amino]-5-methylfuran-3-carboxamide
PubChem CID108740663
Molecular FormulaC13H18N2O6
Molecular Weight298.30 g/mol
Exact Mass298.12
IUPAC Name4-acetyl-2-[[2-(2-methoxyethoxy)acetyl]amino]-5-methylfuran-3-carboxamide
SMILESCOCCOCC(=O)Nc1oc(C)c(C(C)=O)c1C(N)=O
InChIInChI=1S/C13H18N2O6/c1-7(16)10-8(2)21-13(11(10)12(14)18)15-9(17)6-20-5-4-19-3/h4-6H2,1-3H3,(H2,14,18)(H,15,17)
InChIKeyOTLZEJBPQOESNE-UHFFFAOYSA-N
XLogP0.49
TPSA120.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-5-methylfuran-3-carboxamide
CID 108763332
4-acetyl-2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763231
4-acetyl-5-methyl-2-[(2-naphthalen-1-ylacetyl)amino]furan-3-carboxamide
CID 108740762
4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763234
4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide
CID 108740756
ethyl 4-carbamoyl-2-methyl-5-[(2-phenoxyacetyl)amino]furan-3-carboxylate
CID 108733676
ethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 9203357
4-acetyl-2-(adamantane-1-carbonylamino)-5-methylfuran-3-carboxamide
CID 108740670
ethyl 4-acetyl-2-[(2-cyanoacetyl)amino]-5-methylfuran-3-carboxylate
CID 108763526
ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate
CID 9202543
4-acetyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]furan-3-carboxamide
CID 108740607
ethyl 4-carbamoyl-5-[[2-[2-(4-methoxyphenyl)acetyl]oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 9201262

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-[[2-(2-methoxyethoxy)acetyl]amino]-5-methylfuran-3-carboxamide?
The IUPAC name of 4-acetyl-2-[[2-(2-methoxyethoxy)acetyl]amino]-5-methylfuran-3-carboxamide (CID 108740663) is 4-acetyl-2-[[2-(2-methoxyethoxy)acetyl]amino]-5-methylfuran-3-carboxamide.
What is the SMILES notation for 4-acetyl-2-[[2-(2-methoxyethoxy)acetyl]amino]-5-methylfuran-3-carboxamide?
The canonical SMILES for 4-acetyl-2-[[2-(2-methoxyethoxy)acetyl]amino]-5-methylfuran-3-carboxamide is COCCOCC(=O)Nc1oc(C)c(C(C)=O)c1C(N)=O.
What is the InChIKey of 4-acetyl-2-[[2-(2-methoxyethoxy)acetyl]amino]-5-methylfuran-3-carboxamide?
The InChIKey is OTLZEJBPQOESNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6/c1-7(16)10-8(2)21-13(11(10)12(14)18)15-9(17)6-20-5-4-19-3/h4-6H2,1-3H3,(H2,14,18)(H,15,17).
What are the key properties of 4-acetyl-2-[[2-(2-methoxyethoxy)acetyl]amino]-5-methylfuran-3-carboxamide?
4-acetyl-2-[[2-(2-methoxyethoxy)acetyl]amino]-5-methylfuran-3-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-[[2-(2-methoxyethoxy)acetyl]amino]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 108740663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).