Methyl (2E)-3-[3-[(cyclohexylcarbonyl)[[4′-(dimethylamino)[1,1′-biphenyl]-4-yl]methyl]amino]phenyl]-2-propenoate

C₃₂H₃₆N₂O₃CAS 574013-66-4496.65 g/mol

Open in Covalent MOL file

Alkene Amide Ester Tertiary amine

Properties

Molecular formula: C₃₂H₃₆N₂O₃
Molar mass: 496.65 g/mol
Exact mass: 496.2726 Da
logP: 6.72Crippen estimate
Polar surface area: 49.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 8
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H413 May cause long lasting harmful effects to aquatic life100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P501

Identifiers

CAS number

574013-66-4

SMILES

COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C(=O)C2CCCCC2)c1

InChIKey

VLQTUNDJHLEFEQ-KGENOOAVSA-N

InChI

InChI=1S/C32H36N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h7-8,11-22,28H,4-6,9-10,23H2,1-3H3/b21-14+

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Names and synonyms

2 names

2-Propenoic acid, 3-[3-[(cyclohexylcarbonyl)[[4′-(dimethylamino)[1,1′-biphenyl]-4-yl]methyl]amino]phenyl]-, methyl ester, (2E)-
Fexaramine

Work with Methyl (2E)-3-[3-[(cyclohexylcarbonyl)[[4′-(dimethylamino)[1,1′-biphenyl]-4-yl]methyl]amino]phenyl]-2-propenoate

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Similar compounds

Methyl cinnamate103-26-438 % similar Methyl 3-[4-(bromomethyl)phenyl]-2-propenoate946-99-637 % similar Methyl 3-(4-chlorophenyl)-2-propenoate7560-44-337 % similar Methyl caffeate3843-74-135 % similar Methyl ferulate2309-07-133 % similar Methyl (2E)-3-(4-methylphenyl)-2-propenoate20754-20-533 % similar Methyl 3-(4-formylphenyl)-2-propenoate7560-50-133 % similar Methyl 4-hydroxycinnamate19367-38-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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