3-chloro-N-methoxy-2,2-dimethylpropanamide

C6H12ClNO2 — CID 55298436

IUPAC3-chloro-N-methoxy-2,2-dimethylpropanamide
SMILESCONC(=O)C(C)(C)CCl
InChIInChI=1S/C6H12ClNO2/c1-6(2,4-7)5(9)8-10-3/h4H2,1-3H3,(H,8,9)
InChIKeyOBZCOXPZRBNOBH-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.93
Rot. Bonds3

About 3-chloro-N-methoxy-2,2-dimethylpropanamide

3-chloro-N-methoxy-2,2-dimethylpropanamide (PubChem CID 55298436) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 3-chloro-N-methoxy-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-methoxy-2,2-dimethylpropanamide
PubChem CID55298436
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name3-chloro-N-methoxy-2,2-dimethylpropanamide
SMILESCONC(=O)C(C)(C)CCl
InChIInChI=1S/C6H12ClNO2/c1-6(2,4-7)5(9)8-10-3/h4H2,1-3H3,(H,8,9)
InChIKeyOBZCOXPZRBNOBH-UHFFFAOYSA-N
XLogP0.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methoxy-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-methoxy-2,2-dimethylpropanamide (CID 55298436) is 3-chloro-N-methoxy-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-methoxy-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-methoxy-2,2-dimethylpropanamide is CONC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-methoxy-2,2-dimethylpropanamide?
The InChIKey is OBZCOXPZRBNOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2/c1-6(2,4-7)5(9)8-10-3/h4H2,1-3H3,(H,8,9).
What are the key properties of 3-chloro-N-methoxy-2,2-dimethylpropanamide?
3-chloro-N-methoxy-2,2-dimethylpropanamide has a molecular weight of 165.62 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methoxy-2,2-dimethylpropanamide is sourced from PubChem (CID 55298436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).