Chemical ID: 5975951

CC(C)CNC(=O)c1cc(ccc1N(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3
Chemical ID:
5975951
Name [?]:
N-[4-dimethylamino-3-(isobutylcarbamoyl)phenyl]adamantane-1-carboxamide
SMILES [?]:
CC(C)CNC(=O)c1cc(ccc1N(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C24H35N3O2/c1-15(2)14-25-22(28)20-10-19(5-6-21(20)27(3)4)26-23(29)24-11-16-7-17(12-24)9-18(8-16)13-24/h5-6,10,15-18H,7-9,11-14H2,1-4H3,(H,25,28)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,11,12,23,26,28,9,25,21,29,4,2,24,22,27,10,8,13,6,18,20,5,17,14,7,19/E:(1,2)(3,4)(7,8,9)(11,12,13)(16,17,18)/rA:29nCCCCNCOCCCCCCNCCNCOCCCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s14;s10;s17;d18;s18;s20;s21;s22;s23;s20s24;s24;s26;s22s27;s20s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H35N3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.8945
Area:620.574
Solvation:-3.61989
Coulombic:-48.6848
Bond Count [?]
All:32
Single:27
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:397.554
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.93
LogP (Chemaxon):4.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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