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Chemical ID: 5174458
Chemical ID:
5174458
Name [?]:
N-[4-(1-adamantyl)phenyl]-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2ccc(cc2)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C24H27NO2/c1-27-22-8-2-19(3-9-22)23(26)25-21-6-4-20(5-7-21)24-13-16-10-17(14-24)12-18(11-16)15-24/h2-9,16-18H,10-15H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,5,7,14,16,13,17,4,8,21,24,26,23,19,27,22,20,25,6,15,12,3,9,18,11,10,2/E:(2,3)(4,5)(6,7)(8,9)(10,11,12)(13,14,15)(16,17,18)/rA:27nCOCCCCCCCONCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s18;s19;s20;s21;s18s22;s22;s24;s20s25;s18s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27NO2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.984 |
Area: | 562.727 |
Solvation: | -3.08416 |
Coulombic: | -31.1397 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 361.477 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.88 |
LogP (Chemaxon): | 5.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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