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Chemical ID: 4149839
Chemical ID:
4149839
Name [?]:
N-(2,5-dimethylphenyl)-2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]-acetamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COc2ccc(cc2)C(C)(C)c3ccccc3)C
InChi [?]:
InChI=1/C25H27NO2/c1-18-10-11-19(2)23(16-18)26-24(27)17-28-22-14-12-21(13-15-22)25(3,4)20-8-6-5-7-9-20/h5-16H,17H2,1-4H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,28,20,21,25,24,26,23,27,3,4,15,17,14,18,7,11,2,5,22,16,13,6,9,19,8,10,12/E:(3,4)(6,7)(8,9)(12,13)(14,15)/rA:28nCCCCCCCNCOCOCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s19;s19;s22;d23;s24;d25;d22s26;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27NO2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1542 |
Area: | 618.536 |
Solvation: | -4.30925 |
Coulombic: | -31.4246 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 373.487 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.65 |
LogP (Chemaxon): | 6.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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