Basic information
- Standard SMILES
C#Cc1cc(C(=O)OC)cc(C(=O)N(CCC)CCC)c1- InChIKey
VAQXYLAYXOIABB-UHFFFAOYSA-N- Molecular formula
- C17H21NO3
- Average molar mass
- 287.35 g/mol
Names & identifiers
- Preferred name
- Methyl 3-[(dipropylamino)carbonyl]-5-ethynylbenzoate
- IUPAC
- methyl 3-(dipropylcarbamoyl)-5-ethynylbenzoate
Names & synonyms
VAQXYLAYXOIABB-UHFFFAOYSA-Nmethyl 3-[(dipropylamino)carbonyl]-5-ethynylbenzoate
Database identifiers
- PubChem CID
- 21086178
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
Related reactions
10 records
Compound notes
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