Chemical ID: 5873110

Cc1ccccc1C(=O)N(Cc2ccc(cc2)N(C)C)C34CC5CC(C3)CC(C5)C4
Chemical ID:
5873110
Name [?]:
N-(1-adamantyl)-N-[(4-dimethylaminophenyl)methyl]-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)N(Cc2ccc(cc2)N(C)C)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C27H34N2O/c1-19-6-4-5-7-25(19)26(30)29(18-20-8-10-24(11-9-20)28(2)3)27-15-21-12-22(16-27)14-23(13-21)17-27/h4-11,21-23H,12-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,20,4,5,3,6,13,17,14,16,24,27,29,26,22,30,11,2,12,25,23,28,15,7,8,21,18,10,9/E:(2,3)(8,9)(10,11)(12,13,14)(15,16,17)(21,22,23)/rA:30nCCCCCCCCONCCCCCCCNCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s18;s18;s10;s21;s22;s23;s24;s21s25;s25;s27;s23s28;s21s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H34N2O
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.1571
Area:576.221
Solvation:-2.24848
Coulombic:-27.0015
Bond Count [?]
All:34
Single:27
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:402.572
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.8
LogP (Chemaxon):5.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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