Benzamide, 2-hydroxy-5-[2-[(1-methyl-3-phenylpropyl)amino]acetyl]-, hydrochloride (1:1)

C₁₉H₂₃ClN₂O₃CAS 96441-14-4362.85 g/mol

Open in Covalent MOL file

Ketone Phenol Secondary amine

Properties

Molecular formula: C₁₉H₂₃ClN₂O₃
Molar mass: 362.85 g/mol
Exact mass: 362.1397 Da
logP: 3.49Crippen estimate
Polar surface area: 93.4 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 8

Identifiers

CAS number

96441-14-4

SMILES

CC(CCc1ccccc1)NCC(=O)c1ccc(O)c(C(=N)O)c1.Cl

InChIKey

DJHFVUYXWAEVRA-UHFFFAOYSA-N

InChI

InChI=1S/C19H22N2O3.ClH/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24;/h2-6,9-11,13,21-22H,7-8,12H2,1H3,(H2,20,24);1H

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Names and synonyms

1 names

Benzamide, 2-hydroxy-5-[[(1-methyl-3-phenylpropyl)amino]acetyl]-, monohydrochloride

Work with Benzamide, 2-hydroxy-5-[2-[(1-methyl-3-phenylpropyl)amino]acetyl]-, hydrochloride (1:1)

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

Labetalol hydrochloride32780-64-664 % similar Labetalol36894-69-659 % similar 5-[2-[Bis(phenylmethyl)amino]acetyl]-2-hydroxybenzamide30566-92-855 % similar 5-(2-Bromoacetyl)-2-hydroxybenzamide73866-23-649 % similar 5-Acetyl-2-hydroxybenzamide40187-51-745 % similar α-Methylamino-3′,4′-dihydroxyacetophenone hydrochloride62-13-541 % similar Dobutamine hydrochloride49745-95-139 % similar N-Octanoyl-5-salicylic acid78418-01-637 % similar

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

Elsewhere

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