2-Butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)-5-nitrobenzofuran

C₃₀H₄₀N₂O₅CAS 141645-23-0508.66 g/mol

Open in Covalent MOL file

Ether Ketone Nitro Tertiary amine

Properties

Molecular formula: C₃₀H₄₀N₂O₅
Molar mass: 508.66 g/mol
Exact mass: 508.2937 Da
logP: 7.59Crippen estimate
Polar surface area: 85.8 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 17

Identifiers

CAS number

141645-23-0

SMILES

CCCCc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1

InChIKey

YIYARJKYRBMMJG-UHFFFAOYSA-N

InChI

InChI=1S/C30H40N2O5/c1-4-7-11-28-29(26-22-24(32(34)35)14-17-27(26)37-28)30(33)23-12-15-25(16-13-23)36-21-10-20-31(18-8-5-2)19-9-6-3/h12-17,22H,4-11,18-21H2,1-3H3

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Names and synonyms

2 names

Methanone, (2-butyl-5-nitro-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]-
(2-Butyl-5-nitro-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]methanone

Work with 2-Butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)-5-nitrobenzofuran

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

2-(N-Butyl)-3-(4-hydroxybenzoyl)-5-nitrobenzofuran141645-16-169 % similar Dronedarone141626-36-068 % similar Methanone, (5-amino-2-butyl-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]-, ethanedioate (1:2)500791-70-868 % similar 1-Butoxy-4-nitrobenzene7244-78-248 % similar Amiodarone1951-25-346 % similar Amiodarone hydrochloride19774-82-445 % similar 2-Butyl-3-(4-hydroxybenzoyl)benzofuran52490-15-044 % similar 2-Butyl-5-nitrobenzofuran133238-87-641 % similar

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

Elsewhere

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