1-Acetamidoadamantane

C₁₂H₁₉NOCAS 880-52-4193.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₉NO
Molar mass: 193.29 g/mol
Exact mass: 193.1467 Da
Melting point: 148 °C
logP: 2.93Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed91.1% of notifiers
H312 Harmful in contact with skin91.1% of notifiers
H332 Harmful if inhaled91.1% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

880-52-4

SMILES

CC(O)=NC12CC3CC(CC(C3)C1)C2

InChIKey

BCVXYGJCDZPKGV-UHFFFAOYSA-N

InChI

InChI=1S/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)

Weigh it out

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

Names and synonyms

9 names

Acetamide, N-tricyclo[3.3.1.13,7]dec-1-yl-
Acetamide, N-1-adamantyl-
N-Tricyclo[3.3.1.13,7]dec-1-ylacetamide
N-1-Adamantylacetamide
N-Adamantylacetamide
N-(Tricyclo[3.3.1.13,7]dec-1-yl)acetamide
NSC 527917
N-Acetyl amantadine
N-(Adamantan-1-yl)acetamide

Work with 1-Acetamidoadamantane

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

1-Acetamido-3,5-dimethyladamantane19982-07-159 % similar 1-Isocyanatoadamantane4411-25-039 % similar N,N'-Diacetylethylenediamine871-78-336 % similar 1,2-Diacetylhydrazine3148-73-035 % similar 1-Acetyladamantane1660-04-434 % similar Adamantyl isothiocyanate4411-26-134 % similar Tricyclo[3.3.1.13,7]decane-1-carboxamide5511-18-234 % similar 1-Adamantanecarboxylic acid828-51-334 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethylamino-1-(4′-methoxyphenyl)propane14367-46-5 2-(Butylphenylamino)ethanol3046-94-4 4-Hexyloxyaniline39905-57-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook