Viaminate

C₂₉H₃₇NO₃CAS 53839-71-7447.62 g/mol

Open in Covalent MOL file

Alkene Amide Ester

Properties

Molecular formula: C₂₉H₃₇NO₃
Molar mass: 447.62 g/mol
Exact mass: 447.2773 Da
logP: 7.33Crippen estimate
Polar surface area: 55.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 8
Double bonds: E, E, E, EE/Z, in SMILES order

Identifiers

CAS number

53839-71-7

SMILES

CCOC(=O)c1ccc(NC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)cc1

InChIKey

VRSMJNVXOITYPE-FSDIUQKZSA-N

InChI

InChI=1S/C29H37NO3/c1-7-33-28(32)24-14-16-25(17-15-24)30-27(31)20-22(3)11-8-10-21(2)13-18-26-23(4)12-9-19-29(26,5)6/h8,10-11,13-18,20H,7,9,12,19H2,1-6H3,(H,30,31)/b11-8+,18-13+,21-10+,22-20+

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Names and synonyms

3 names

Retinamide, N-[4-(ethoxycarbonyl)phenyl]-
N-[4-(Ethoxycarbonyl)phenyl]retinamide
N-(p-Ethoxycarbonylphenyl)retinamide

Work with Viaminate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Fenretinide65646-68-672 % similar Retinoic acid302-79-453 % similar Isotretinoin4759-48-253 % similar 9-cis-Retinoic acid5300-03-853 % similar β-Carotene7235-40-752 % similar Retinyl acetate127-47-951 % similar Retinal116-31-450 % similar Retinyl palmitate79-81-248 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook