N-tert-butyl-2-methoxy-N-methylacetamide

C8H17NO2 — CID 89113194

IUPACN-tert-butyl-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)C(C)(C)C
InChIInChI=1S/C8H17NO2/c1-8(2,3)9(4)7(10)6-11-5/h6H2,1-5H3
InChIKeyZCGLNJNGPXKRJW-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.89
Rot. Bonds2

About N-tert-butyl-2-methoxy-N-methylacetamide

N-tert-butyl-2-methoxy-N-methylacetamide (PubChem CID 89113194) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-tert-butyl-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-methoxy-N-methylacetamide
PubChem CID89113194
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-tert-butyl-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)C(C)(C)C
InChIInChI=1S/C8H17NO2/c1-8(2,3)9(4)7(10)6-11-5/h6H2,1-5H3
InChIKeyZCGLNJNGPXKRJW-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methoxy-N-methylacetamide?
The IUPAC name of N-tert-butyl-2-methoxy-N-methylacetamide (CID 89113194) is N-tert-butyl-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-tert-butyl-2-methoxy-N-methylacetamide?
The canonical SMILES for N-tert-butyl-2-methoxy-N-methylacetamide is COCC(=O)N(C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methoxy-N-methylacetamide?
The InChIKey is ZCGLNJNGPXKRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2,3)9(4)7(10)6-11-5/h6H2,1-5H3.
What are the key properties of N-tert-butyl-2-methoxy-N-methylacetamide?
N-tert-butyl-2-methoxy-N-methylacetamide has a molecular weight of 159.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methoxy-N-methylacetamide is sourced from PubChem (CID 89113194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).