N-[(2,5-dimethylfuran-3-yl)methyl]-2-ethoxyacetamide

C11H17NO3 — CID 56765535

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCc1cc(C)oc1C
InChIInChI=1S/C11H17NO3/c1-4-14-7-11(13)12-6-10-5-8(2)15-9(10)3/h5H,4,6-7H2,1-3H3,(H,12,13)
InChIKeyYIGKYAWIEPBIMW-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.55
Rot. Bonds5

About N-[(2,5-dimethylfuran-3-yl)methyl]-2-ethoxyacetamide

N-[(2,5-dimethylfuran-3-yl)methyl]-2-ethoxyacetamide (PubChem CID 56765535) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-2-ethoxyacetamide
PubChem CID56765535
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCc1cc(C)oc1C
InChIInChI=1S/C11H17NO3/c1-4-14-7-11(13)12-6-10-5-8(2)15-9(10)3/h5H,4,6-7H2,1-3H3,(H,12,13)
InChIKeyYIGKYAWIEPBIMW-UHFFFAOYSA-N
XLogP1.55
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-2-ethoxyacetamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-2-ethoxyacetamide (CID 56765535) is N-[(2,5-dimethylfuran-3-yl)methyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-2-ethoxyacetamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-2-ethoxyacetamide is CCOCC(=O)NCc1cc(C)oc1C.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-2-ethoxyacetamide?
The InChIKey is YIGKYAWIEPBIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-14-7-11(13)12-6-10-5-8(2)15-9(10)3/h5H,4,6-7H2,1-3H3,(H,12,13).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-2-ethoxyacetamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-2-ethoxyacetamide has a molecular weight of 211.26 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-2-ethoxyacetamide is sourced from PubChem (CID 56765535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).