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Chemical ID: 4083956
Chemical ID:
4083956
Name [?]:
N-(4-isopropoxyphenyl)adamantane-1-carboxamide
SMILES [?]:
CC(C)Oc1ccc(cc1)NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C20H27NO2/c1-13(2)23-18-5-3-17(4-6-18)21-19(22)20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,13-16H,7-12H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,7,9,6,10,17,20,22,19,15,23,2,18,16,21,8,5,12,14,11,13,4/E:(1,2)(3,4)(5,6)(7,8,9)(10,11,12)(14,15,16)/rA:23nCCCOCCCCCCNCOCCCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;s17;s14s18;s18;s20;s16s21;s14s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H27NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.92272 |
Area: | 504.331 |
Solvation: | -2.68555 |
Coulombic: | -29.445 |
Bond Count [?]
All: | 26 |
Single: | 22 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 313.434 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.03 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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