chempirical

Kukoamines

C28H42N4O6CAS 75288-96-9530.67 g/mol

Open in Covalent MOL file
OOHOHNHNHHNHNOOHOH
PhenolSecondary amine

Properties

Molecular formula
C28H42N4O6
Molar mass
530.67 g/mol
Exact mass
530.3104 Da
logP
3.73Crippen estimate
Polar surface area
170.2 Ų
H-bond donors / acceptors
8 / 8
Rotatable bonds
19

Identifiers

CAS number
75288-96-9
SMILES
OC(CCc1ccc(O)c(O)c1)=NCCCNCCCCNCCCN=C(O)CCc1ccc(O)c(O)c1
InChIKey
IOLDDENZPBFBHV-UHFFFAOYSA-N
InChI
InChI=1S/C28H42N4O6/c33-23-9-5-21(19-25(23)35)7-11-27(37)31-17-3-15-29-13-1-2-14-30-16-4-18-32-28(38)12-8-22-6-10-24(34)26(36)20-22/h5-6,9-10,19-20,29-30,33-36H,1-4,7-8,11-18H2,(H,31,37)(H,32,38)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzenepropanamide, N,N′-[1,4-butanediylbis(imino-3,1-propanediyl)]bis[3,4-dihydroxy-
  • N,N′-[1,4-Butanediylbis(imino-3,1-propanediyl)]bis[3,4-dihydroxybenzenepropanamide]
  • Kukoamine A
  • N1,N12-Bis(dihydrocaffeoyl) spermine
  • N1,N14-Bis(dihydrocaffeoyl)spermine
  • ZINC 13513540

Work with Kukoamines

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

Dihydrocaffeic acid1078-61-147 % similar Irganox 109823128-74-742 % similar Methyldopamine hydrochloride62-32-840 % similar Hydroxytyrosol10597-60-140 % similar Dopamine51-61-639 % similar Nonivamide2444-46-437 % similar Malabaricone C63335-25-137 % similar Dopamine hydrochloride62-31-736 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia