4'-Acetamido-2'-methylacetophenone

C₁₁H₁₃NO₂CAS 34956-31-5191.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₃NO₂
Molar mass: 191.23 g/mol
Exact mass: 191.0946 Da
logP: 2.16Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

34956-31-5

SMILES

CC1=C(C=CC(=C1)NC(=O)C)C(=O)C

InChIKey

PTARWPNYVATTDE-UHFFFAOYSA-N

InChI

InChI=1S/C11H13NO2/c1-7-6-10(12-9(3)14)4-5-11(7)8(2)13/h4-6H,1-3H3,(H,12,14)

Weigh it out

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Names and synonyms

1 names

4-Acetamido-2-methylacetophenone

Work with 4'-Acetamido-2'-methylacetophenone

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′,4′-Dimethylacetophenone89-74-757 % similar 4′-Hydroxy-2′-methylacetophenone875-59-254 % similar 1-(2,4,5-Trimethylphenyl)ethanone2040-07-550 % similar N-(5-Oxo-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide88611-67-049 % similar 2′-Methylacetophenone577-16-249 % similar 4'-tert-Butylacetanilide20330-45-447 % similar 4-Acetamidophenylboronic acid101251-09-646 % similar 4-Acetaminobenzyl alcohol16375-88-546 % similar

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

Same formula

(1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetic acid105400-81-5 (3R)-3-Phenyl-L-proline118758-48-8 4-Morpholinobenzaldehyde1204-86-0 4-Formyl-N-(1-methylethyl)benzamide13255-50-0 4-(Dimethylamino)cinnamic acid1552-96-1 4-(1-Pyrrolidinyl)benzoic acid22090-27-3 N-(4-Methylphenyl)-3-oxobutanamide2415-85-2 (R)-2-Amino-5-phenylpent-4-enoic acid264903-53-9

Elsewhere

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