Chemical ID: 5574208

CC(=O)c1ccc(cc1)OCCCC(=O)Nc2cccc(c2)C#N
Chemical ID:
5574208
Name [?]:
4-(4-acetylphenoxy)-N-(3-cyanophenyl)-butanamide
SMILES [?]:
CC(=O)c1ccc(cc1)OCCCC(=O)Nc2cccc(c2)C#N
InChi [?]:
InChI=1/C19H18N2O3/c1-14(22)16-7-9-18(10-8-16)24-11-3-6-19(23)21-17-5-2-4-15(12-17)13-20/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,19,12,20,18,13,5,9,6,8,11,22,23,2,21,4,17,7,14,24,16,3,15,10/E:(7,8)(9,10)/rA:24nCCOCCCCCCOCCCCONCCCCCCCN/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.24783
Area:577.366
Solvation:-5.18633
Coulombic:-37.6783
Bond Count [?]
All:25
Single:16
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:322.358
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.75
LogP (Chemaxon):2.43

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