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Chemical ID: 5552122
Chemical ID:
5552122
Name [?]:
N-(4-acetamidophenyl)-4-(4-acetylphenoxy)-butanamide
SMILES [?]:
CC(=O)c1ccc(cc1)OCCCC(=O)Nc2ccc(cc2)NC(=O)C
InChi [?]:
InChI=1/C20H22N2O4/c1-14(23)16-5-11-19(12-6-16)26-13-3-4-20(25)22-18-9-7-17(8-10-18)21-15(2)24/h5-12H,3-4,13H2,1-2H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,26,12,13,5,9,19,21,18,22,6,8,11,2,24,4,20,17,7,14,23,16,3,25,15,10/E:(5,6)(7,8)(9,10)(11,12)/rA:26nCCOCCCCCCOCCCCONCCCCCCNCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22N2O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.06894 |
Area: | 612.259 |
Solvation: | -6.23752 |
Coulombic: | -52.4476 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 354.4 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.86 |
LogP (Chemaxon): | 1.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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