2-ethoxy-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide

C9H19NO4 — CID 103890820

IUPAC2-ethoxy-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
SMILESCCOCC(=O)NC(CC)(CO)CO
InChIInChI=1S/C9H19NO4/c1-3-9(6-11,7-12)10-8(13)5-14-4-2/h11-12H,3-7H2,1-2H3,(H,10,13)
InChIKeyGXTJMABCJMSPOL-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.73
Rot. Bonds7

About 2-ethoxy-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide

2-ethoxy-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide (PubChem CID 103890820) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-ethoxy-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
PubChem CID103890820
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-ethoxy-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
SMILESCCOCC(=O)NC(CC)(CO)CO
InChIInChI=1S/C9H19NO4/c1-3-9(6-11,7-12)10-8(13)5-14-4-2/h11-12H,3-7H2,1-2H3,(H,10,13)
InChIKeyGXTJMABCJMSPOL-UHFFFAOYSA-N
XLogP-0.73
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The IUPAC name of 2-ethoxy-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide (CID 103890820) is 2-ethoxy-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The canonical SMILES for 2-ethoxy-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide is CCOCC(=O)NC(CC)(CO)CO.
What is the InChIKey of 2-ethoxy-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The InChIKey is GXTJMABCJMSPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-3-9(6-11,7-12)10-8(13)5-14-4-2/h11-12H,3-7H2,1-2H3,(H,10,13).
What are the key properties of 2-ethoxy-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
2-ethoxy-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide has a molecular weight of 205.25 g/mol, XLogP of -0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide is sourced from PubChem (CID 103890820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).