Responsive image

Common name


Crotamiton

IUPAC name


N-ethyl-N-(2-methylphenyl)but-2-enamide

SMILES


CCN(C(=O)C=CC)C1=CC=CC=C1C

Compound class


Pesticides; Antiscabies Agents; Ectoparasiticides for Topical Use, Incl. Insecticides; Ectoparaciticides, Insecticides and Repellents; Antiparasitic Products, Insecticides and Repellents;

Therapeutic area


For eradication of scabies (.

Common name


Crotamiton

IUPAC name


N-ethyl-N-(2-methylphenyl)but-2-enamide

SMILES


CCN(C(=O)C=CC)C1=CC=CC=C1C

INCHI


InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+

FORMULA


C13H17NO

Responsive image

Common name


Crotamiton

IUPAC name


N-ethyl-N-(2-methylphenyl)but-2-enamide

Molecular weight


203.280

clogP


2.698

clogS


-2.739

HBond Acceptor


1

HBond Donor


0

Total Polar
Surface Area


20.31

Number of Rings


1

Rotatable Bond


4

Drug ID Common name Structure CAS SMILE Frequency
FDBF00023 toluene Responsive image c1(ccccc1)C 0.1268
FDBF00553 (E)-N-(o-tolyl)but-2-enamide Responsive image c1(c(cccc1)C)NC(=O)C=CC 0.0007
FDBF00554 (E)-N-ethylbut-2-enamide Responsive image O=C(NCC)C=CC 0.0007
FDBF00555 (E)-but-2-enamide Responsive image O=C(N)C=CC 0.0010
4 , 1