(Alphar)-alpha-hydroxy-N-[2-(4-nitrophenyl)ethyl]benzeneacetamide

C16H16N2O4CAS 521284-19-5300.31 g/mol

Open in Covalent MOL file
ONHN+OO−OH
AlcoholAmideNitro

Properties

Molecular formula
C16H16N2O4
Molar mass
300.31 g/mol
Exact mass
300.1110 Da
logP
1.99Crippen estimate
Polar surface area
92.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Hazards

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

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Identifiers

CAS number
521284-19-5
SMILES
C1=CC=C(C=C1)[C@H](C(=O)NCCC2=CC=C(C=C2)[N+](=O)[O-])O
InChIKey
YWGDTDSOHPHFAQ-OAHLLOKOSA-N
InChI
InChI=1S/C16H16N2O4/c19-15(13-4-2-1-3-5-13)16(20)17-11-10-12-6-8-14(9-7-12)18(21)22/h1-9,15,19H,10-11H2,(H,17,20)/t15-/m1/s1

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Names and synonyms

1 names
  • (R)-2-Hydroxy-N-(4-nitrophenethyl)-2-phenylacetamide

Work with (Alphar)-alpha-hydroxy-N-[2-(4-nitrophenyl)ethyl]benzeneacetamide

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

Benzenemethanol, -[[[2-(4-nitrophenyl)ethyl]amino]methyl]-, (R)-521284-21-955 % similar N-Acetyl-2-(4-nitrophenyl)ethylamine6270-07-152 % similar 4-Nitrobenzenebutanoic acid5600-62-446 % similar 1,2-Bis(4-nitrophenyl)ethane736-30-145 % similar 3-(4-Nitrophenyl)propionic acid16642-79-845 % similar 2-(4-Nitrophenyl)ethanol100-27-643 % similar (4-Nitrophenyl)acetic acid104-03-043 % similar N-(4-Nitrophenethyl)-N-methylamine hydrochloride166943-39-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Desmedipham13684-56-5 Phenmedipham13684-63-4 4,4'-Bis(ethoxycarbonly)-2,2'-bipyridine1762-42-1 5,5′-Diethyl [2,2′-bipyridine]-5,5′-dicarboxylate1762-46-5

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