Chemical ID: 6306152

CCc1ccc(cc1)OCc2ccc(cc2)C(=O)N(C)C34CC5CC(C3)CC(C5)C4
Chemical ID:
6306152
Name [?]:
N-(1-adamantyl)-4-[(4-ethylphenoxy)methyl]-N-methyl-benzamide
SMILES [?]:
CCc1ccc(cc1)OCc2ccc(cc2)C(=O)N(C)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C27H33NO2/c1-3-19-6-10-25(11-7-19)30-18-20-4-8-24(9-5-20)26(29)28(2)27-15-21-12-22(16-27)14-23(13-21)17-27/h4-11,21-23H,3,12-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,12,16,4,8,13,15,5,7,24,27,29,26,22,30,10,3,11,25,23,28,14,6,17,21,19,18,9/E:(4,5)(6,7)(8,9)(10,11)(12,13,14)(15,16,17)(21,22,23)/rA:30nCCCCCCCCOCCCCCCCCONCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;s19;s21;s22;s23;s24;s21s25;s25;s27;s23s28;s21s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H33NO2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.5686
Area:626.401
Solvation:-3.09145
Coulombic:-28.3543
Bond Count [?]
All:34
Single:27
Double:7
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:403.556
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.97
LogP (Chemaxon):5.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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