tert-Butyl ((4-acetyl-6-methoxypyridin-2-yl)methyl)carbamate

HCID 72216004

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Basic information

CAS: 1393555-25-3
Standard SMILES: COc1cc(C(C)=O)cc(CNC(=O)OC(C)(C)C)n1
InChIKey: YTHXPDFQBBHCNJ-UHFFFAOYSA-N
Molecular formula: C14H20N2O4
Average molar mass: 280.32 g/mol
Monoisotopic mass: 280.14230712

Names & identifiers

Preferred name: tert-Butyl ((4-acetyl-6-methoxypyridin-2-yl)methyl)carbamate
IUPAC: tert-butyl N-[(4-acetyl-6-methoxy-2-pyridinyl)methyl]carbamate

Names & synonyms

1393555-25-3tert-Butyl ((4-acetyl-6-methoxypyridin-2-yl)methyl)carbamatetert-Butyl [(4-acetyl-6-methoxypyridin-2-yl)methyl]carbamateDTXSID501129743AB80171TERT-BUTYL (4-ACETYL-6-METHOXYPYRIDIN-2-YL)METHYLCARBAMATECarbamic acid, N-[(4-acetyl-6-methoxy-2-pyridinyl)methyl]-, 1,1-dimethylethyl ester

Database identifiers

CAS: 1393555-25-3
PubChem CID: 72216004
DTXSID: DTXSID501129743

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 77.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 20
Formal charge: 0
Complexity: 352

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