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

C9H21NO3 — CID 142869018

IUPACethane;N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
SMILESCC.CCC(CO)(CO)NC(C)=O
InChIInChI=1S/C7H15NO3.C2H6/c1-3-7(4-9,5-10)8-6(2)11;1-2/h9-10H,3-5H2,1-2H3,(H,8,11);1-2H3
InChIKeyQYZRJABAATYGPC-UHFFFAOYSA-N
MW191.27 g/mol
LogP0.28
Rot. Bonds4

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

ethane;N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide (PubChem CID 142869018) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is ethane;N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide.

Molecular Properties

Compound Nameethane;N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
PubChem CID142869018
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Nameethane;N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
SMILESCC.CCC(CO)(CO)NC(C)=O
InChIInChI=1S/C7H15NO3.C2H6/c1-3-7(4-9,5-10)8-6(2)11;1-2/h9-10H,3-5H2,1-2H3,(H,8,11);1-2H3
InChIKeyQYZRJABAATYGPC-UHFFFAOYSA-N
XLogP0.28
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The IUPAC name of ethane;N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide (CID 142869018) is ethane;N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide.
What is the SMILES notation for ethane;N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The canonical SMILES for ethane;N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide is CC.CCC(CO)(CO)NC(C)=O.
What is the InChIKey of ethane;N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The InChIKey is QYZRJABAATYGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3.C2H6/c1-3-7(4-9,5-10)8-6(2)11;1-2/h9-10H,3-5H2,1-2H3,(H,8,11);1-2H3.
What are the key properties of ethane;N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
ethane;N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide has a molecular weight of 191.27 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide is sourced from PubChem (CID 142869018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).