Benzoic acid, p-((methylcarbamoylmethyl)amino)-, ethyl ester
Basic information
- CAS
95766-85-1- Standard SMILES
CCOC(=O)c1ccc(NCC(=O)NC)cc1- InChIKey
LHTLHMKLDVSLQT-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.11609238
Names & identifiers
- Preferred name
- Benzoic acid, p-((methylcarbamoylmethyl)amino)-, ethyl ester
- IUPAC
- ethyl 4-[[2-(methylamino)-2-oxoethyl]amino]benzoate
Names & synonyms
95766-85-1GB-405BENZOIC ACID, p-((METHYLCARBAMOYLMETHYL)AMINO)-, ETHYL ESTERp-((Methylcarbamoylmethyl)amino)benzoic acid ethyl esterDTXSID20241958RefChem:327799DTXCID50164449SCHEMBL30690870ethyl 4-{[2-(methylamino)-2-oxoethyl]amino}benzoate
Database identifiers
- CAS
95766-85-1- PubChem CID
- 56966
- DTXSID
DTXSID20241958- Nikkaji
- J87.230J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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