2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide

C11H17NO4 — CID 71804393

IUPAC2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide
SMILESCCOCC(=O)NCCC(O)c1ccoc1
InChIInChI=1S/C11H17NO4/c1-2-15-8-11(14)12-5-3-10(13)9-4-6-16-7-9/h4,6-7,10,13H,2-3,5,8H2,1H3,(H,12,14)
InChIKeyVCCMFLUAXQLILK-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.86
Rot. Bonds7

About 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide

2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide (PubChem CID 71804393) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide
PubChem CID71804393
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide
SMILESCCOCC(=O)NCCC(O)c1ccoc1
InChIInChI=1S/C11H17NO4/c1-2-15-8-11(14)12-5-3-10(13)9-4-6-16-7-9/h4,6-7,10,13H,2-3,5,8H2,1H3,(H,12,14)
InChIKeyVCCMFLUAXQLILK-UHFFFAOYSA-N
XLogP0.86
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide?
The IUPAC name of 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide (CID 71804393) is 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide is CCOCC(=O)NCCC(O)c1ccoc1.
What is the InChIKey of 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide?
The InChIKey is VCCMFLUAXQLILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-2-15-8-11(14)12-5-3-10(13)9-4-6-16-7-9/h4,6-7,10,13H,2-3,5,8H2,1H3,(H,12,14).
What are the key properties of 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide?
2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide has a molecular weight of 227.26 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide is sourced from PubChem (CID 71804393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).