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Chemical ID: 7258750
Chemical ID:
7258750
Name [?]:
2-(4-acetylphenoxy)-N-(4-benzyloxyphenyl)-propanamide
SMILES [?]:
CC(C(=O)Nc1ccc(cc1)OCc2ccccc2)Oc3ccc(cc3)C(=O)C
InChi [?]:
InChI=1/C24H23NO4/c1-17(26)20-8-12-23(13-9-20)29-18(2)24(27)25-21-10-14-22(15-11-21)28-16-19-6-4-3-5-7-19/h3-15,18H,16H2,1-2H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:29,1,17,16,18,15,19,23,25,7,11,22,26,8,10,13,27,2,14,24,6,9,21,3,5,28,4,12,20/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:29cCCCONCCCCCCOCCCCCCCOCCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;d15;s16;d17;d14s18;s2;s20;s21;d22;s23;d24;d21s25;s24;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23NO4 |
All Atoms: | 52 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.92753 |
Area: | 649.762 |
Solvation: | -6.31653 |
Coulombic: | -45.1017 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 389.444 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.67 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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