Chemical ID: 7376930

CC(C)(C)c1ccccc1NC(=O)C23CC4CC(C2)CC(C4)C3
Chemical ID:
7376930
Name [?]:
N-(2-tert-butylphenyl)adamantane-1-carboxamide
SMILES [?]:
CC(C)(C)c1ccccc1NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C21H29NO/c1-20(2,3)17-6-4-5-7-18(17)22-19(23)21-11-14-8-15(12-21)10-16(9-14)13-21/h4-7,14-16H,8-13H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,8,6,9,17,20,22,19,15,23,18,16,21,5,10,12,2,14,11,13/E:(1,2,3)(8,9,10)(11,12,13)(14,15,16)/rA:23nCCCCCCCCCCNCOCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;s16;s17;s14s18;s18;s20;s16s21;s14s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H29NO
All Atoms:52
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.4791
Area:478.092
Solvation:-1.47315
Coulombic:-23.5509
Bond Count [?]
All:26
Single:22
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:311.461
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.84
LogP (Chemaxon):4.87

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Descriptor Annotations

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