N-ethoxy-2,2-dimethylpropanamide

C7H15NO2 — CID 60717899

IUPACN-ethoxy-2,2-dimethylpropanamide
SMILESCCONC(=O)C(C)(C)C
InChIInChI=1S/C7H15NO2/c1-5-10-8-6(9)7(2,3)4/h5H2,1-4H3,(H,8,9)
InChIKeyBUHWTEKQLOECCN-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.10
Rot. Bonds2

About N-ethoxy-2,2-dimethylpropanamide

N-ethoxy-2,2-dimethylpropanamide (PubChem CID 60717899) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-ethoxy-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-ethoxy-2,2-dimethylpropanamide
PubChem CID60717899
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-ethoxy-2,2-dimethylpropanamide
SMILESCCONC(=O)C(C)(C)C
InChIInChI=1S/C7H15NO2/c1-5-10-8-6(9)7(2,3)4/h5H2,1-4H3,(H,8,9)
InChIKeyBUHWTEKQLOECCN-UHFFFAOYSA-N
XLogP1.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2,2-dimethylpropanamide?
The IUPAC name of N-ethoxy-2,2-dimethylpropanamide (CID 60717899) is N-ethoxy-2,2-dimethylpropanamide.
What is the SMILES notation for N-ethoxy-2,2-dimethylpropanamide?
The canonical SMILES for N-ethoxy-2,2-dimethylpropanamide is CCONC(=O)C(C)(C)C.
What is the InChIKey of N-ethoxy-2,2-dimethylpropanamide?
The InChIKey is BUHWTEKQLOECCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5-10-8-6(9)7(2,3)4/h5H2,1-4H3,(H,8,9).
What are the key properties of N-ethoxy-2,2-dimethylpropanamide?
N-ethoxy-2,2-dimethylpropanamide has a molecular weight of 145.20 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2,2-dimethylpropanamide is sourced from PubChem (CID 60717899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).