Chemical ID: 4525255

c1cc(cc(c1)NC(=O)C2C3CC4CC(C3)CC2C4)N
Chemical ID:
4525255
Name [?]:
N-(3-aminophenyl)adamantane-2-carboxamide
SMILES [?]:
c1cc(cc(c1)NC(=O)C2C3CC4CC(C3)CC2C4)N
InChi [?]:
InChI=1/C17H22N2O/c18-14-2-1-3-15(9-14)19-17(20)16-12-5-10-4-11(7-12)8-13(16)6-10/h1-3,9-13,16H,4-8,18H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,12,19,16,17,4,13,15,11,18,3,5,10,8,20,7,9/E:(5,6,7,8)(10,11)(12,13)/rA:20nCCCCCCNCOCCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s15;s10s17;s13s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.94145
Area:433.438
Solvation:-1.89451
Coulombic:-37.8336
Bond Count [?]
All:23
Single:19
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:270.369
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.72
LogP (Chemaxon):2.78

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