Chemical ID: 5639320

c1cc(ccc1C23CC4CC(C2)CC(C4)C3)NC(=O)C56CC7CC(C5)CC(C7)C6
Chemical ID:
5639320
Name [?]:
N-[4-(1-adamantyl)phenyl]adamantane-1-carboxamide
SMILES [?]:
c1cc(ccc1C23CC4CC(C2)CC(C4)C3)NC(=O)C56CC7CC(C5)CC(C7)C6
InChi [?]:
InChI=1/C27H35NO/c29-25(27-14-20-8-21(15-27)10-22(9-20)16-27)28-24-3-1-23(2-4-24)26-11-17-5-18(12-26)7-19(6-17)13-26/h1-4,17-22H,5-16H2,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,10,13,15,23,26,28,12,8,16,25,21,29,11,9,14,24,22,27,6,3,18,7,20,17,19/E:(1,2)(3,4)(5,6,7)(8,9,10)(11,12,13)(14,15,16)(17,18,19)(20,21,22)/rA:29nCCCCCCCCCCCCCCCCNCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s7s11;s11;s13;s9s14;s7s14;s3;s17;d18;s18;s20;s21;s22;s23;s20s24;s24;s26;s22s27;s20s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H35NO
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.5262
Area:565.169
Solvation:-1.60303
Coulombic:-23.8363
Bond Count [?]
All:35
Single:31
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:389.573
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.57
LogP (Chemaxon):6.19

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