Basic information
- CAS
7477-82-9- Standard SMILES
CCC(C)OC(=O)Nc1ccc(C)c(NC(=O)OC(C)CC)c1- InChIKey
KEURTXLOYIIITI-UHFFFAOYSA-N- Molecular formula
- C17H26N2O4
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.18925731
Names & identifiers
- Preferred name
- Dibutan-2-yl (4-methyl-1,3-phenylene)biscarbamate
- IUPAC
- butan-2-yl N-[3-(butan-2-yloxycarbonylamino)-4-methylphenyl]carbamate
Names & synonyms
7477-82-9NSC402819Dibutan-2-yl (4-methyl-1,3-phenylene)biscarbamateDTXSID00323024NSC-402819Di(butan-2-yl) (4-methyl-1,3-phenylene)biscarbamate
Database identifiers
- CAS
7477-82-9- PubChem CID
- 345296
- DTXSID
DTXSID00323024
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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