Responsive image

Common name

N-ethyl-N-phenyl-acetamide

IUPAC name

N-ethyl-N-phenyl-acetamide

SMILES

O=C(N(CC)c1ccccc1)C

Common name

N-ethyl-N-phenyl-acetamide

IUPAC name

N-ethyl-N-phenyl-acetamide

SMILES

O=C(N(CC)c1ccccc1)C

INCHI

InChI=1S/C10H13NO/c1-3-11(9(2)12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3

FORMULA

C10H13NO

Responsive image

Common name

N-ethyl-N-phenyl-acetamide

IUPAC name

N-ethyl-N-phenyl-acetamide





Molecular weight

163.216

clogP

1.615

clogS

-2.095

Frequency

0.0003





HBond Acceptor

1

HBond Donor

0

Total Polar
Surface Area

20.31

Number of Rings

1

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00817 Zaleplon Responsive image Hypnotics and Sedatives; Nervous System; Psycholeptics; Benzodiazepine Related Drugs; CYP3A4 Inhibitors; For the treatment of short-term treatment of insomnia in adults.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
1gar_ligand_4_2520.mol2 1gar 1 -6.70 CC(=O)N(CC)c1ccccc1 12
3b68_ligand_1_0.mol2 3b68 0.935484 -7.48 c1(ccccc1)NC(=O)C 10
3chs_ligand_2_2.mol2 3chs 0.935484 -7.46 CC(=O)Nc1ccccc1 10
3chr_ligand_2_11.mol2 3chr 0.935484 -7.40 CC(=O)Nc1ccccc1 10
3chq_ligand_2_15.mol2 3chq 0.935484 -7.36 CC(=O)Nc1ccccc1 10
3n86_ligand_2_4.mol2 3n86 0.935484 -7.31 CC(=O)Nc1ccccc1 10
4msk_ligand_2_9.mol2 4msk 0.935484 -7.22 c1(ccccc1)NC(=O)C 10
5avi_ligand_1_2.mol2 5avi 0.935484 -7.22 c1ccccc1N(C(=O)C)C 11
4i9i_ligand_2_11.mol2 4i9i 0.935484 -7.14 c1(ccccc1)NC(=O)C 10
107 , 11