4'-tert-Butylacetanilide

C₁₂H₁₇NOCAS 20330-45-4191.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₇NO
Molar mass: 191.27 g/mol
Exact mass: 191.1310 Da
logP: 2.94Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H319 Causes serious eye irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number

20330-45-4

SMILES

CC(=O)NC1=CC=C(C=C1)C(C)(C)C

InChIKey

RMUYDDKCUZHVHY-UHFFFAOYSA-N

InChI

InChI=1S/C12H17NO/c1-9(14)13-11-7-5-10(6-8-11)12(2,3)4/h5-8H,1-4H3,(H,13,14)

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Names and synonyms

1 names

4'-(tert-Butyl)acetanilide

Work with 4'-tert-Butylacetanilide

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

Tenovin-1380315-80-065 % similar 4'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide214360-60-853 % similar 4,4'-Di-tert-butyldiphenylamine4627-22-952 % similar 4-Acetamidophenylboronic acid101251-09-651 % similar 4-Acetaminobenzyl alcohol16375-88-551 % similar 4′-tert-Butylacetophenone943-27-148 % similar 4-Acetamidophenylacetonitrile25025-06-347 % similar 4'-Acetamido-2'-methylacetophenone34956-31-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

DEET134-62-3 1-Benzyl-3-hydroxypiperidine14813-01-5 1-Benzylpiperidin-4-ol4727-72-4 4-(Phenylmethyl)-4-piperidinol51135-96-7 [(2S)-1-Benzylpyrrolidin-2-yl]methanol53912-80-4 4'-Diethylaminoacetophenone5520-66-1 1-Benzylpyrrolidin-3-yl-methanol5731-17-9 1-(3-Hydroxybenzyl)piperidine73279-04-6

Elsewhere

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