Chemical ID: 5733610

c1ccc(cc1)NC(=O)NC23CC4CC(C2)CC(C4)C3
Chemical ID:
5733610
Name [?]:
3-(1-adamantyl)-1-phenyl-urea
SMILES [?]:
c1ccc(cc1)NC(=O)NC23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C17H22N2O/c20-16(18-15-4-2-1-3-5-15)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14H,6-11H2,(H2,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,14,17,19,16,12,20,15,13,18,4,8,11,7,10,9/E:(2,3)(4,5)(6,7,8)(9,10,11)(12,13,14)/rA:20nCCCCCCNCONCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s15;s17;s13s18;s11s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.39721
Area:435.256
Solvation:-1.48418
Coulombic:-36.5289
Bond Count [?]
All:23
Single:19
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:270.369
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.79
LogP (Chemaxon):3.07

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