ethane;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide

C9H21NO2 — CID 177020261

IUPACethane;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC.CNC(=O)COC(C)(C)C
InChIInChI=1S/C7H15NO2.C2H6/c1-7(2,3)10-5-6(9)8-4;1-2/h5H2,1-4H3,(H,8,9);1-2H3
InChIKeyUWQBTSSNUXMBLC-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.57
Rot. Bonds2

About ethane;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide

ethane;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 177020261) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is ethane;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound Nameethane;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID177020261
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Nameethane;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC.CNC(=O)COC(C)(C)C
InChIInChI=1S/C7H15NO2.C2H6/c1-7(2,3)10-5-6(9)8-4;1-2/h5H2,1-4H3,(H,8,9);1-2H3
InChIKeyUWQBTSSNUXMBLC-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of ethane;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 177020261) is ethane;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for ethane;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for ethane;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide is CC.CNC(=O)COC(C)(C)C.
What is the InChIKey of ethane;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is UWQBTSSNUXMBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C2H6/c1-7(2,3)10-5-6(9)8-4;1-2/h5H2,1-4H3,(H,8,9);1-2H3.
What are the key properties of ethane;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
ethane;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 175.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 177020261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).