N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide

C11H23NO2 — CID 123807188

IUPACN-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-9(13)12-11(5,6)7-8-14-10(2,3)4/h7-8H2,1-6H3,(H,12,13)
InChIKeyUPXWTCICTKNLOP-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.11
Rot. Bonds4

About N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide

N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide (PubChem CID 123807188) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide
PubChem CID123807188
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-9(13)12-11(5,6)7-8-14-10(2,3)4/h7-8H2,1-6H3,(H,12,13)
InChIKeyUPXWTCICTKNLOP-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide?
The IUPAC name of N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide (CID 123807188) is N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide.
What is the SMILES notation for N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide?
The canonical SMILES for N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide is CC(=O)NC(C)(C)CCOC(C)(C)C.
What is the InChIKey of N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide?
The InChIKey is UPXWTCICTKNLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(13)12-11(5,6)7-8-14-10(2,3)4/h7-8H2,1-6H3,(H,12,13).
What are the key properties of N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide?
N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide has a molecular weight of 201.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide is sourced from PubChem (CID 123807188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).