4-Formyl-N-(1-methylethyl)benzamide

C₁₁H₁₃NO₂CAS 13255-50-0191.23 g/mol

Open in Covalent MOL file

Aldehyde Amide

Properties

Molecular formula: C₁₁H₁₃NO₂
Molar mass: 191.23 g/mol
Exact mass: 191.0946 Da
logP: 1.64Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13255-50-0

SMILES

CC(C)NC(=O)c1ccc(C=O)cc1

InChIKey

OMFHZDXZIJJKFP-UHFFFAOYSA-N

InChI

InChI=1S/C11H13NO2/c1-8(2)12-11(14)10-5-3-9(7-13)4-6-10/h3-8H,1-2H3,(H,12,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Benzamide, 4-formyl-N-(1-methylethyl)-
Terephthalaldehydamide, N-isopropyl-
4-Formyl-N-isopropylbenzamide
N-Isopropyl-4-formylbenzamide
N-Isopropylterephthalaldehydamide
N-Isopropyl-p-formylbenzamide

Work with 4-Formyl-N-(1-methylethyl)benzamide

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

Procarbazine671-16-951 % similar 4-Acetylbenzaldehyde3457-45-249 % similar Procarbazine hydrochloride366-70-148 % similar 4,4',4'',4'''-(Ethene-1,1,2,2-tetrayl)tetrabenzaldehyde2170451-48-447 % similar Methyl 4-formylbenzoate1571-08-045 % similar 4-Carboxybenzaldehyde619-66-944 % similar Cuminaldehyde122-03-243 % similar 4',4''',4''''',4'''''''-(Ethene-1,1,2,2-tetrayl)tetrakis(([1,1'-biphenyl]-4-carbaldehyde))1624970-54-243 % 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-(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 2-Amino-5-phenyl-(2s)-4-pentenoic acid267650-37-3

Elsewhere

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