ethane;N-(3-hydroxyoxan-4-yl)acetamide

C9H19NO3 — CID 145223948

IUPACethane;N-(3-hydroxyoxan-4-yl)acetamide
SMILESCC.CC(=O)NC1CCOCC1O
InChIInChI=1S/C7H13NO3.C2H6/c1-5(9)8-6-2-3-11-4-7(6)10;1-2/h6-7,10H,2-4H2,1H3,(H,8,9);1-2H3
InChIKeyOVMIESKUVZCQOL-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.30
Rot. Bonds1

About ethane;N-(3-hydroxyoxan-4-yl)acetamide

ethane;N-(3-hydroxyoxan-4-yl)acetamide (PubChem CID 145223948) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is ethane;N-(3-hydroxyoxan-4-yl)acetamide.

Molecular Properties

Compound Nameethane;N-(3-hydroxyoxan-4-yl)acetamide
PubChem CID145223948
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nameethane;N-(3-hydroxyoxan-4-yl)acetamide
SMILESCC.CC(=O)NC1CCOCC1O
InChIInChI=1S/C7H13NO3.C2H6/c1-5(9)8-6-2-3-11-4-7(6)10;1-2/h6-7,10H,2-4H2,1H3,(H,8,9);1-2H3
InChIKeyOVMIESKUVZCQOL-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-hydroxyoxan-4-yl)acetamide?
The IUPAC name of ethane;N-(3-hydroxyoxan-4-yl)acetamide (CID 145223948) is ethane;N-(3-hydroxyoxan-4-yl)acetamide.
What is the SMILES notation for ethane;N-(3-hydroxyoxan-4-yl)acetamide?
The canonical SMILES for ethane;N-(3-hydroxyoxan-4-yl)acetamide is CC.CC(=O)NC1CCOCC1O.
What is the InChIKey of ethane;N-(3-hydroxyoxan-4-yl)acetamide?
The InChIKey is OVMIESKUVZCQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.C2H6/c1-5(9)8-6-2-3-11-4-7(6)10;1-2/h6-7,10H,2-4H2,1H3,(H,8,9);1-2H3.
What are the key properties of ethane;N-(3-hydroxyoxan-4-yl)acetamide?
ethane;N-(3-hydroxyoxan-4-yl)acetamide has a molecular weight of 189.25 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-hydroxyoxan-4-yl)acetamide is sourced from PubChem (CID 145223948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).