Chemical ID: 7291166

CCN(CC)C(=O)c1cccc(c1)NC(=O)C23CC4CC(C2)CC(C4)C3
Chemical ID:
7291166
Name [?]:
N-[3-(diethylcarbamoyl)phenyl]adamantane-1-carboxamide
SMILES [?]:
CCN(CC)C(=O)c1cccc(c1)NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C22H30N2O2/c1-3-24(4-2)20(25)18-6-5-7-19(11-18)23-21(26)22-12-15-8-16(13-22)10-17(9-15)14-22/h5-7,11,15-17H,3-4,8-10,12-14H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,10,9,11,20,23,25,13,22,18,26,21,19,24,8,12,6,15,17,14,3,7,16/E:(1,2)(3,4)(8,9,10)(12,13,14)(15,16,17)/rA:26nCCNCCCOCCCCCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;s10;d11;d8s12;s12;s14;d15;s15;s17;s18;s19;s20;s17s21;s21;s23;s19s24;s17s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H30N2O2
All Atoms:56
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.2357
Area:553.866
Solvation:-2.61091
Coulombic:-39.2566
Bond Count [?]
All:29
Single:24
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:354.486
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.63
LogP (Chemaxon):3.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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