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Chemical ID: 7447133
Chemical ID:
7447133
Name [?]:
N-(5-amino-2-methyl-phenyl)adamantane-1-carboxamide
SMILES [?]:
Cc1ccc(cc1NC(=O)C23CC4CC(C2)CC(C4)C3)N
InChi [?]:
InChI=1/C18H24N2O/c1-11-2-3-15(19)7-16(11)20-17(21)18-8-12-4-13(9-18)6-14(5-12)10-18/h2-3,7,12-14H,4-6,8-10,19H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,4,14,17,19,6,16,12,20,2,15,13,18,5,7,9,11,21,8,10/E:(4,5,6)(8,9,10)(12,13,14)/rA:21nCCCCCCCNCOCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s15;s17;s13s18;s11s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N2O |
All Atoms: | 45 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.55576 |
Area: | 455.146 |
Solvation: | -1.82288 |
Coulombic: | -38.1124 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 284.396 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 3.64 |
LogP (Chemaxon): | 2.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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