N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide

C12H25NO2 — CID 20790235

IUPACN-tert-butyl-2-ethoxy-3,3-dimethylbutanamide
SMILESCCOC(C(=O)NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-8-15-9(11(2,3)4)10(14)13-12(5,6)7/h9H,8H2,1-7H3,(H,13,14)
InChIKeyBKKRWOZUGKDLEQ-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.35
Rot. Bonds3

About N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide

N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide (PubChem CID 20790235) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-2-ethoxy-3,3-dimethylbutanamide
PubChem CID20790235
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-tert-butyl-2-ethoxy-3,3-dimethylbutanamide
SMILESCCOC(C(=O)NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-8-15-9(11(2,3)4)10(14)13-12(5,6)7/h9H,8H2,1-7H3,(H,13,14)
InChIKeyBKKRWOZUGKDLEQ-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(Tert-butylamino)-3-methyl-1-oxobutan-2-yl] acetate
CID 137320880
[1-(Tert-butylamino)-3-methyl-1-oxobutan-2-yl] 2,2-dimethylpropanoate
CID 171343675
N-tert-butyl-2-methoxypropanamide
CID 112685516
2-methoxy-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 103028885
1-Oxo-1-[(2,4,4-trimethylpentan-2-yl)amino]propan-2-yl acetate
CID 229643
N-tert-butyl-2-hydroxy-3,3-dimethylbutanamide
CID 12518936
N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide
CID 20790196
N-tert-butyl-2-(cyclopropylmethoxy)-3,3-dimethylbutanamide
CID 20790225
N-tert-butyl-2-(cyclopropylmethoxy)-3-methylbutanamide
CID 20790226
N-tert-butyl-2-(cyclopropylmethoxy)-4,4-dimethylpentanamide
CID 20790227
N-tert-butyl-2-ethoxy-3-methylbutanamide
CID 20790236
N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide
CID 20790237

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide?
The IUPAC name of N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide (CID 20790235) is N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide.
What is the SMILES notation for N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide?
The canonical SMILES for N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide is CCOC(C(=O)NC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide?
The InChIKey is BKKRWOZUGKDLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-8-15-9(11(2,3)4)10(14)13-12(5,6)7/h9H,8H2,1-7H3,(H,13,14).
What are the key properties of N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide?
N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide has a molecular weight of 215.34 g/mol, XLogP of 2.35, 3 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-3,3-dimethylbutanamide is sourced from PubChem (CID 20790235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).