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Chemical ID: 5574208
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
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Experimental Annotations
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Descriptor Annotations
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