Methyl 2-benzamido-3-[[6-(2-propan-2-yloxyphenoxy)pyridin-3-yl]amino]prop-2-enoate
Basic information
- CAS
247058-94-2- Standard SMILES
COC(=O)C(=CNc1ccc(Oc2ccccc2OC(C)C)nc1)NC(=O)c1ccccc1- InChIKey
IPMZFJPPFVFLFE-UHFFFAOYSA-N- Molecular formula
- C25H25N3O5
- Average molar mass
- 447.5 g/mol
- Monoisotopic mass
- 447.17942091
Names & identifiers
- Preferred name
- Methyl 2-benzamido-3-[[6-(2-propan-2-yloxyphenoxy)pyridin-3-yl]amino]prop-2-enoate
- IUPAC
- methyl 2-benzamido-3-[[6-(2-propan-2-yloxyphenoxy)-3-pyridinyl]amino]prop-2-enoate
Names & synonyms
methyl 2-benzamido-3-[[6-(2-propan-2-yloxyphenoxy)pyridin-3-yl]amino]prop-2-enoateMethyl 2-benzamido-3-[(6-{2-[(propan-2-yl)oxy]phenoxy}pyridin-3-yl)amino]prop-2-enoate
Database identifiers
- CAS
247058-94-2- PubChem CID
- 2454
- DTXSID
DTXSID20179444
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 662
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Related reactions
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Compound notes
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