Benzoic acid, p-((dimethylcarbamoylmethyl)amino)-, ethyl ester
Basic information
- CAS
92033-58-4- Standard SMILES
CCOC(=O)c1ccc(NCC(=O)N(C)C)cc1- InChIKey
VGPJDUTVFJMTOM-UHFFFAOYSA-N- Molecular formula
- C13H18N2O3
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.13174244
Names & identifiers
- Preferred name
- Benzoic acid, p-((dimethylcarbamoylmethyl)amino)-, ethyl ester
- IUPAC
- ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]benzoate
Names & synonyms
92033-58-4GB-401BENZOIC ACID, p-((DIMETHYLCARBAMOYLMETHYL)AMINO)-, ETHYL ESTERp-((Dimethylcarbamoylmethyl)amino)benzoic acid ethyl esterDTXSID10238837RefChem:327798DTXCID60161328Ethyl 4-{[2-(dimethylamino)-2-oxoethyl]amino}benzoate
Database identifiers
- CAS
92033-58-4- PubChem CID
- 56324
- DTXSID
DTXSID10238837- Nikkaji
- J87.202D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
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Related reactions
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Compound notes
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