Chemical ID: 4455890

Cc1cccc(c1)OCC(=O)N(C)c2ccccc2
Chemical ID:
4455890
Name [?]:
N-methyl-2-(3-methylphenoxy)-N-phenyl-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)N(C)c2ccccc2
InChi [?]:
InChI=1/C16H17NO2/c1-13-7-6-10-15(11-13)19-12-16(18)17(2)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,17,16,18,4,3,15,19,5,7,9,2,14,6,10,12,11,8/E:(4,5)(8,9)/rA:19nCCCCCCCOCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s12;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.42152
Area:462.975
Solvation:-4.15284
Coulombic:-24.6581
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:255.312
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.25
LogP (Chemaxon):3.11

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Descriptor Annotations

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