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Chemical ID: 4566771
Chemical ID:
4566771
Name [?]:
N-benzyl-N-[3-(4-isopropoxyphenyl)-4-methyl-pentyl]-acetamide
SMILES [?]:
CC(C)C(CCN(Cc1ccccc1)C(=O)C)c2ccc(cc2)OC(C)C
InChi [?]:
InChI=1/C24H33NO2/c1-18(2)24(22-11-13-23(14-12-22)27-19(3)4)15-16-25(20(5)26)17-21-9-7-6-8-10-21/h6-14,18-19,24H,15-17H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,26,27,17,12,11,13,10,14,19,23,20,22,5,6,8,2,25,15,9,18,21,4,7,16,24/E:(1,2)(3,4)(7,8)(9,10)(11,12)(13,14)/rA:27cCCCCCCNCCCCCCCCOCCCCCCCOCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s7;d15;s15;s4;s18;d19;s20;d21;d18s22;s21;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H33NO2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.1009 |
Area: | 617.197 |
Solvation: | -3.32904 |
Coulombic: | -26.7189 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 367.524 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.17 |
LogP (Chemaxon): | 5.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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