N-[(4-tert-butylphenyl)methyl]-N-methyl-2H-1,3-benzodioxole-5-carboxamide
Basic information
- CAS
851457-31-3- Standard SMILES
CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc2c(c1)OCO2- InChIKey
DBHVZDFDMXHMLY-UHFFFAOYSA-N- Molecular formula
- C20H23NO3
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.1677936
Names & identifiers
- Preferred name
- N-[(4-tert-butylphenyl)methyl]-N-methyl-2H-1,3-benzodioxole-5-carboxamide
- IUPAC
- N-[(4-tert-butylphenyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
Names & synonyms
MLS002170163CHEMBL1411668DTXSID001135880HMS3017D19AKOS034139832N-[[4-(1,1-Dimethylethyl)phenyl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide851457-31-3SMR001250485Z30681030N-[(4-tert-butylphenyl)methyl]-N-methyl-2H-1,3-benzodioxole-5-carboxamide
Database identifiers
- CAS
851457-31-3- PubChem CID
- 4882487
- DTXSID
DTXSID001135880- ChEMBL
CHEMBL1411668
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 437
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Compound notes
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