ethane;N-methyl-N-[2-(2-methyl-1,3-oxazolidin-3-yl)ethyl]acetamide

C11H23N2O2+ — CID 123525824

IUPACethane;N-methyl-N-[2-(2-methyl-1,3-oxazolidin-3-yl)ethyl]acetamide
SMILESCC(=O)N(C)CCN1CCOC1C.[CH2+]C
InChIInChI=1S/C9H18N2O2.C2H5/c1-8(12)10(3)4-5-11-6-7-13-9(11)2;1-2/h9H,4-7H2,1-3H3;1H2,2H3/q;+1
InChIKeyHHWIYUYQHJWZLX-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.98
Rot. Bonds3

About ethane;N-methyl-N-[2-(2-methyl-1,3-oxazolidin-3-yl)ethyl]acetamide

ethane;N-methyl-N-[2-(2-methyl-1,3-oxazolidin-3-yl)ethyl]acetamide (PubChem CID 123525824) has the molecular formula C11H23N2O2+ and a molecular weight of 215.32 g/mol. Its IUPAC name is ethane;N-methyl-N-[2-(2-methyl-1,3-oxazolidin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Nameethane;N-methyl-N-[2-(2-methyl-1,3-oxazolidin-3-yl)ethyl]acetamide
PubChem CID123525824
Molecular FormulaC11H23N2O2+
Molecular Weight215.32 g/mol
Exact Mass215.18
IUPAC Nameethane;N-methyl-N-[2-(2-methyl-1,3-oxazolidin-3-yl)ethyl]acetamide
SMILESCC(=O)N(C)CCN1CCOC1C.[CH2+]C
InChIInChI=1S/C9H18N2O2.C2H5/c1-8(12)10(3)4-5-11-6-7-13-9(11)2;1-2/h9H,4-7H2,1-3H3;1H2,2H3/q;+1
InChIKeyHHWIYUYQHJWZLX-UHFFFAOYSA-N
XLogP0.98
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-[2-(2-methyl-1,3-oxazolidin-3-yl)ethyl]acetamide?
The IUPAC name of ethane;N-methyl-N-[2-(2-methyl-1,3-oxazolidin-3-yl)ethyl]acetamide (CID 123525824) is ethane;N-methyl-N-[2-(2-methyl-1,3-oxazolidin-3-yl)ethyl]acetamide.
What is the SMILES notation for ethane;N-methyl-N-[2-(2-methyl-1,3-oxazolidin-3-yl)ethyl]acetamide?
The canonical SMILES for ethane;N-methyl-N-[2-(2-methyl-1,3-oxazolidin-3-yl)ethyl]acetamide is CC(=O)N(C)CCN1CCOC1C.[CH2+]C.
What is the InChIKey of ethane;N-methyl-N-[2-(2-methyl-1,3-oxazolidin-3-yl)ethyl]acetamide?
The InChIKey is HHWIYUYQHJWZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.C2H5/c1-8(12)10(3)4-5-11-6-7-13-9(11)2;1-2/h9H,4-7H2,1-3H3;1H2,2H3/q;+1.
What are the key properties of ethane;N-methyl-N-[2-(2-methyl-1,3-oxazolidin-3-yl)ethyl]acetamide?
ethane;N-methyl-N-[2-(2-methyl-1,3-oxazolidin-3-yl)ethyl]acetamide has a molecular weight of 215.32 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-[2-(2-methyl-1,3-oxazolidin-3-yl)ethyl]acetamide is sourced from PubChem (CID 123525824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).