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Chemical ID: 6306152
Chemical ID:
6306152
Name [?]:
N-(1-adamantyl)-4-[(4-ethylphenoxy)methyl]-N-methyl-benzamide
SMILES [?]:
CCc1ccc(cc1)OCc2ccc(cc2)C(=O)N(C)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C27H33NO2/c1-3-19-6-10-25(11-7-19)30-18-20-4-8-24(9-5-20)26(29)28(2)27-15-21-12-22(16-27)14-23(13-21)17-27/h4-11,21-23H,3,12-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,12,16,4,8,13,15,5,7,24,27,29,26,22,30,10,3,11,25,23,28,14,6,17,21,19,18,9/E:(4,5)(6,7)(8,9)(10,11)(12,13,14)(15,16,17)(21,22,23)/rA:30nCCCCCCCCOCCCCCCCCONCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;s19;s21;s22;s23;s24;s21s25;s25;s27;s23s28;s21s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H33NO2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5686 |
Area: | 626.401 |
Solvation: | -3.09145 |
Coulombic: | -28.3543 |
Bond Count [?]
All: | 34 |
Single: | 27 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 403.556 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.97 |
LogP (Chemaxon): | 5.3 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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