N-methoxy-2,2-dimethylpropanamide

C6H13NO2 — CID 13415188

IUPACN-methoxy-2,2-dimethylpropanamide
SMILESCONC(=O)C(C)(C)C
InChIInChI=1S/C6H13NO2/c1-6(2,3)5(8)7-9-4/h1-4H3,(H,7,8)
InChIKeyQEDLDUHFSQPJIX-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.71
Rot. Bonds1

About N-methoxy-2,2-dimethylpropanamide

N-methoxy-2,2-dimethylpropanamide (PubChem CID 13415188) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is N-methoxy-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-methoxy-2,2-dimethylpropanamide
PubChem CID13415188
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC NameN-methoxy-2,2-dimethylpropanamide
SMILESCONC(=O)C(C)(C)C
InChIInChI=1S/C6H13NO2/c1-6(2,3)5(8)7-9-4/h1-4H3,(H,7,8)
InChIKeyQEDLDUHFSQPJIX-UHFFFAOYSA-N
XLogP0.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.71
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-methoxy-2,2-dimethylpropanamide?
The IUPAC name of N-methoxy-2,2-dimethylpropanamide (CID 13415188) is N-methoxy-2,2-dimethylpropanamide.
What is the SMILES notation for N-methoxy-2,2-dimethylpropanamide?
The canonical SMILES for N-methoxy-2,2-dimethylpropanamide is CONC(=O)C(C)(C)C.
What is the InChIKey of N-methoxy-2,2-dimethylpropanamide?
The InChIKey is QEDLDUHFSQPJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(2,3)5(8)7-9-4/h1-4H3,(H,7,8).
What are the key properties of N-methoxy-2,2-dimethylpropanamide?
N-methoxy-2,2-dimethylpropanamide has a molecular weight of 131.17 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2,2-dimethylpropanamide is sourced from PubChem (CID 13415188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).