Completing data — usually done within a minute
Basic information
- CAS
126926-42-9- Standard SMILES
CCCN(CCC)C(=O)c1cccc(C(=O)OC)c1- InChIKey
ANRXZTNRUXAXQP-UHFFFAOYSA-N- Molecular formula
- C15H21NO3
- Average molar mass
- 263.33 g/mol
- Monoisotopic mass
- 263.15214353
Names & identifiers
- Preferred name
- Benzoic acid, 3-((dipropylamino)carbonyl)-, methyl ester
- IUPAC
- methyl 3-(dipropylcarbamoyl)benzoate
Names & synonyms
126926-42-9methyl 3-(dipropylcarbamoyl)benzoateBenzoic acid, 3-((dipropylamino)carbonyl)-, methyl esterBenzoic acid, 3-[(dipropylamino)carbonyl]-, methyl esterMethyl 3-((dipropylamino)carbonyl)benzoateSCHEMBL2204729DTXSID80155345ANRXZTNRUXAXQP-UHFFFAOYSA-NDB-208299
Database identifiers
- CAS
126926-42-9- PubChem CID
- 182776
- DTXSID
DTXSID80155345
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 298
Related reactions
3 records
Compound notes
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