Chemical ID: 7304499

c1cc(ccc1C#N)C(=O)NCC23CC4CC(C2)CC(C4)C3
Chemical ID:
7304499
Name [?]:
N-(1-adamantylmethyl)-4-cyano-benzamide
SMILES [?]:
c1cc(ccc1C#N)C(=O)NCC23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C19H22N2O/c20-11-13-1-3-17(4-2-13)18(22)21-12-19-8-14-5-15(9-19)7-16(6-14)10-19/h1-4,14-16H,5-10,12H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,19,21,18,14,22,7,12,6,17,15,20,3,9,13,8,11,10/E:(1,2)(3,4)(5,6,7)(8,9,10)(14,15,16)/rA:22nCCCCCCCNCONCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;d9;s9;s11;s12;s13;s14;s15;s16;s13s17;s17;s19;s15s20;s13s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N2O
All Atoms:44
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.4178
Area:493.723
Solvation:-1.92531
Coulombic:-27.2435
Bond Count [?]
All:25
Single:20
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:294.391
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.83
LogP (Chemaxon):3.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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