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Chemical ID: 6969345
Chemical ID:
6969345
Name [?]:
N-benzyl-N-[2-(benzyl-cyclohexylcarbonyl-amino)ethyl]cyclohexanecarboxamide
SMILES [?]:
c1ccc(cc1)CN(CCN(Cc2ccccc2)C(=O)C3CCCCC3)C(=O)C4CCCCC4
InChi [?]:
InChI=1/C30H40N2O2/c33-29(27-17-9-3-10-18-27)31(23-25-13-5-1-6-14-25)21-22-32(24-26-15-7-2-8-16-26)30(34)28-19-11-4-12-20-28/h1-2,5-8,13-16,27-28H,3-4,9-12,17-24H2
InChi Info:
AuxInfo=1/0/N:1,16,32,24,2,6,15,17,31,33,23,25,3,5,14,18,30,34,22,26,9,10,7,12,4,13,29,21,27,19,8,11,28,20/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(17,18,19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/rA:34nCCCCCCCNCCNCCCCCCCCOCCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s11;d19;s19;s21;s22;s23;s24;s21s25;s8;d27;s27;s29;s30;s31;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H40N2O2 |
All Atoms: | 74 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.2847 |
Area: | 690.868 |
Solvation: | -2.98705 |
Coulombic: | -37.3567 |
Bond Count [?]
All: | 37 |
Single: | 29 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 460.651 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.74 |
LogP (Chemaxon): | 6.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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