Ethyl 4-[(4-methoxybenzoyl)amino]benzoate
Basic information
- CAS
100278-51-1- Standard SMILES
CCOC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1- InChIKey
LMFLTKIABAVKNV-UHFFFAOYSA-N- Molecular formula
- C17H17NO4
- Average molar mass
- 299.32 g/mol
- Monoisotopic mass
- 299.11575802
Names & identifiers
- Preferred name
- Ethyl 4-[(4-methoxybenzoyl)amino]benzoate
- IUPAC
- ethyl 4-[(4-methoxybenzoyl)amino]benzoate
- English name
- ethyl 4-[(4-methoxybenzoyl)amino]benzoate
- Molecular formula
- C17H17NO4
- Molecular weight
- 299.32
Names & synonyms
ethyl 4-[(4-methoxybenzoyl)amino]benzoate100278-51-1Ethyl 4-((4-methoxybenzoyl)amino)benzoateDTXSID40143081RefChem:138731DTXCID9065572ethyl 4-(4-methoxybenzamido)benzoateZINC64969ZINC00064969Oprea1_162960CBDivE_000478SCHEMBL9711953
Show more names
Benzoic acid, 4-[(4-methoxybenzoyl)amino]-, ethyl ester
ethyl4(4methoxybenzamido)benzoateMFCD00406454STK028646AKOS000493037ST035637ZINC000000064969CCOC(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)OCEU-0066828
Database identifiers
- CAS
100278-51-1- PubChem CID
- 180789
- DTXSID
DTXSID40143081
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Melting point
- 175 °C · 175 °C
- Boiling point
- 388.5 · 388.5±27.0 °C(Predicted)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- pka
- 13.1 · 13.10±0.70(Predicted)
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Related reactions
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Compound notes
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