Chemical ID: 5756454

CCOc1ccc(cc1)NC(=O)CNCc2ccccc2
Chemical ID:
5756454
Name [?]:
2-benzylamino-N-(4-ethoxyphenyl)-acetamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)CNCc2ccccc2
InChi [?]:
InChI=1/C17H20N2O2/c1-2-21-16-10-8-15(9-11-16)19-17(20)13-18-12-14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,20,17,21,6,8,5,9,15,13,16,7,4,11,14,10,12,3/E:(4,5)(6,7)(8,9)(10,11)/rA:21nCCOCCCCCCNCOCNCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.76325
Area:519.899
Solvation:-4.23423
Coulombic:-37.3493
Bond Count [?]
All:22
Single:15
Double:7
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:284.353
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.61
LogP (Chemaxon):2.74

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue