Chemical ID: 4083956

CC(C)Oc1ccc(cc1)NC(=O)C23CC4CC(C2)CC(C4)C3
Chemical ID:
4083956
Name [?]:
N-(4-isopropoxyphenyl)adamantane-1-carboxamide
SMILES [?]:
CC(C)Oc1ccc(cc1)NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C20H27NO2/c1-13(2)23-18-5-3-17(4-6-18)21-19(22)20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,13-16H,7-12H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,7,9,6,10,17,20,22,19,15,23,2,18,16,21,8,5,12,14,11,13,4/E:(1,2)(3,4)(5,6)(7,8,9)(10,11,12)(14,15,16)/rA:23nCCCOCCCCCCNCOCCCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;s17;s14s18;s18;s20;s16s21;s14s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.92272
Area:504.331
Solvation:-2.68555
Coulombic:-29.445
Bond Count [?]
All:26
Single:22
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:313.434
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.03
LogP (Chemaxon):4.4

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