Chemical ID: 7447133

Cc1ccc(cc1NC(=O)C23CC4CC(C2)CC(C4)C3)N
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue