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Chemical ID: 5556608
Chemical ID:
5556608
Name [?]:
N-(2,5-dimethoxyphenyl)-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-acetamide
SMILES [?]:
CC(C)(C)CC(C)(C)c1ccc(cc1)OCC(=O)Nc2cc(ccc2OC)OC
InChi [?]:
InChI=1/C24H33NO4/c1-23(2,3)16-24(4,5)17-8-10-18(11-9-17)29-15-22(26)25-20-14-19(27-6)12-13-21(20)28-7/h8-14H,15-16H2,1-7H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,8,29,27,10,14,11,13,23,24,21,16,5,9,12,22,20,25,17,2,6,19,18,28,26,15/E:(1,2,3)(4,5)(8,9)(10,11)/rA:29nCCCCCCCCCCCCCCOCCONCCCCCCOCOC/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;s26;s22;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H33NO4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.71011 |
Area: | 646.004 |
Solvation: | -6.43998 |
Coulombic: | -44.2833 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 399.523 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.57 |
LogP (Chemaxon): | 5.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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