Methanone, (5-amino-2-butyl-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]-, ethanedioate (1:2)

C32H44N2O7CAS 500791-70-8568.71 g/mol

Open in Covalent MOL file
ONH2OONOHOOOH
Carboxylic acidEtherKetonePrimary amineTertiary amine

Properties

Molecular formula
C32H44N2O7
Molar mass
568.71 g/mol
Exact mass
568.3149 Da
logP
6.42Crippen estimate
Polar surface area
143.3 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
16

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
500791-70-8
SMILES
CCCCc1oc2ccc(N)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1.O=C(O)C(=O)O
InChIKey
VJVFIQVIPOMHOP-UHFFFAOYSA-N
InChI
InChI=1S/C30H42N2O3.C2H2O4/c1-4-7-11-28-29(26-22-24(31)14-17-27(26)35-28)30(33)23-12-15-25(16-13-23)34-21-10-20-32(18-8-5-2)19-9-6-3;3-1(4)2(5)6/h12-17,22H,4-11,18-21,31H2,1-3H3;(H,3,4)(H,5,6)

Weigh it out

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

Work with Methanone, (5-amino-2-butyl-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]-, ethanedioate (1:2)

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ethanedioic acid hydrate (1:2)6153-56-6Hydrate Oxalic acid144-62-7Free acid Ferric ammonium oxalate14221-47-7Salt Copper oxalate814-91-5Salt Iron(II) oxalate516-03-0Salt Silver oxalate533-51-7Salt Potassium hydrogenoxalate127-95-7Salt Tin(II) oxalate814-94-8Salt Sodium oxalate62-76-0Salt Lead(II) oxalate814-93-7Salt Barium oxalate516-02-9Salt Caesium oxalate1068-63-9Salt

Similar compounds

(2-Butyl-5-nitrobenzofuran-3-yl)(4-(3-dibutylaminopropoxy)phenyl)methanone141645-23-068 % similar Dronedarone141626-36-066 % similar Dronedarone hydrochloride141625-93-663 % similar Amiodarone1951-25-346 % similar 2-Butyl-3-(4-hydroxybenzoyl)benzofuran52490-15-046 % similar (2-Butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone141645-16-146 % similar Amiodarone hydrochloride19774-82-445 % similar (2-Butyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)methanone1951-26-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook