chempirical

2-Phenylbutanamide

C10H13NOCAS 90-26-6163.22 g/mol

Open in Covalent MOL file
NH2O

Properties

Molecular formula
C10H13NO
Molar mass
163.22 g/mol
Exact mass
163.0997 Da
Melting point
86 °C
Boiling point
185 °C (at 16 Torr)
logP
2.72Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
3

Identifiers

CAS number
90-26-6
SMILES
CCC(C(=N)O)c1ccccc1
InChIKey
UNFGQCCHVMMMRF-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,11,12)

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Names and synonyms

23 names · show all
  • Benzeneacetamide, α-ethyl-
  • Butyramide, 2-phenyl-
  • α-Ethylbenzeneacetamide
  • TH 4128
  • Geriapan
  • Geristerol
  • Hyposterol
  • Phenetamid
  • Phenetamide
  • α-Phenylbutyramide
  • 2-Phenylbutyramide
  • α-Phenyl-α-ethylacetamide
  • Redusterol
  • α-Ethyl-α-toluamide
  • Substerina
  • Nivonorm
  • Eusterol
  • Normosterolo
  • Phenexan
  • Lipilisol
  • NSC 1861
  • (±)-2-Phenylbutyramide
  • α-Ethylphenylacetamide

Work with 2-Phenylbutanamide

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-Phenylbutyric acid90-27-759 % similar (-)-2-Phenylbutyric acid938-79-459 % similar Mandelamide4410-31-552 % similar α-Ethylbenzeneacetyl chloride36854-57-650 % similar D-Phenylglycine amide6485-67-250 % similar (+)-1-Phenyl-1-propanol1565-74-845 % similar (S)-1-Phenylpropanol613-87-645 % similar 1-Phenyl-1-propanol93-54-945 % similar

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

Same formula

6-Methoxy-1,2,3,4-tetrahydroquinoline120-15-0 Formetorex15302-18-8 1-(4-Aminophenyl)-1-butanone1688-71-7 (S)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol18881-17-9 1-[4-(Dimethylamino)phenyl]ethanone2124-31-4 N-(2,6-Dimethylphenyl)acetamide2198-53-0 N-(3,4-Dimethylphenyl)acetamide2198-54-1 6-Methoxy-1,2,3,4-tetrahydroisoquinoline42923-77-3

Elsewhere

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