2-Methylpropyl 3-[4-(dimethylamino)phenyl]-2-propenoate

HCID 102411

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Basic information

CAS: 3435-52-7
Standard SMILES: CC(C)COC(=O)C=Cc1ccc(N(C)C)cc1
InChIKey: INWSGMUDMWLVJX-UHFFFAOYSA-N
Molecular formula: C15H21NO2
Average molar mass: 247.33 g/mol
Monoisotopic mass: 247.15722891

Names & identifiers

Preferred name: 2-Methylpropyl 3-[4-(dimethylamino)phenyl]-2-propenoate
IUPAC: 2-methylpropyl 3-[4-(dimethylamino)phenyl]prop-2-enoate

Names & synonyms

3435-52-7Isobutyl p-(dimethylamino)cinnamateSCHEMBL108917112-Methylpropyl 3-[4-(dimethylamino)phenyl]-2-propenoateDTXSID6012040932-methylpropyl 3-[4-(dimethylamino)phenyl]prop-2-enoate

Database identifiers

CAS: 3435-52-7
PubChem CID: 102411
DTXSID: DTXSID601204093
EC Number: 222-337-4

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 18
Formal charge: 0
Complexity: 276

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