N-tert-butyl-2-ethoxy-3-methylbutanamide

C11H23NO2 — CID 20790236

IUPACN-tert-butyl-2-ethoxy-3-methylbutanamide
SMILESCCOC(C(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C11H23NO2/c1-7-14-9(8(2)3)10(13)12-11(4,5)6/h8-9H,7H2,1-6H3,(H,12,13)
InChIKeyWQWQEPVGAFXBRU-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.96
Rot. Bonds4

About N-tert-butyl-2-ethoxy-3-methylbutanamide

N-tert-butyl-2-ethoxy-3-methylbutanamide (PubChem CID 20790236) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-tert-butyl-2-ethoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-2-ethoxy-3-methylbutanamide
PubChem CID20790236
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-tert-butyl-2-ethoxy-3-methylbutanamide
SMILESCCOC(C(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C11H23NO2/c1-7-14-9(8(2)3)10(13)12-11(4,5)6/h8-9H,7H2,1-6H3,(H,12,13)
InChIKeyWQWQEPVGAFXBRU-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethoxy-3-methylbutanamide?
The IUPAC name of N-tert-butyl-2-ethoxy-3-methylbutanamide (CID 20790236) is N-tert-butyl-2-ethoxy-3-methylbutanamide.
What is the SMILES notation for N-tert-butyl-2-ethoxy-3-methylbutanamide?
The canonical SMILES for N-tert-butyl-2-ethoxy-3-methylbutanamide is CCOC(C(=O)NC(C)(C)C)C(C)C.
What is the InChIKey of N-tert-butyl-2-ethoxy-3-methylbutanamide?
The InChIKey is WQWQEPVGAFXBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-7-14-9(8(2)3)10(13)12-11(4,5)6/h8-9H,7H2,1-6H3,(H,12,13).
What are the key properties of N-tert-butyl-2-ethoxy-3-methylbutanamide?
N-tert-butyl-2-ethoxy-3-methylbutanamide has a molecular weight of 201.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethoxy-3-methylbutanamide is sourced from PubChem (CID 20790236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).