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Chemical ID: 5163757
Chemical ID:
5163757
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2,3-dimethoxyphenyl)methyl]-N-methyl-piperidine-4-carboxamide
SMILES [?]:
CN(CCc1ccc(c(c1)OC)OC)C(=O)C2CCN(CC2)Cc3cccc(c3OC)OC
InChi [?]:
InChI=1/C26H36N2O5/c1-27(14-11-19-9-10-22(30-2)24(17-19)32-4)26(29)20-12-15-28(16-13-20)18-21-7-6-8-23(31-3)25(21)33-5/h6-10,17,20H,11-16,18H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,14,33,12,31,26,25,27,6,7,4,18,22,3,19,21,10,23,5,17,24,8,28,9,29,15,2,20,16,13,32,11,30/E:(12,13)(15,16)/rA:33nCNCCCCCCCCOCOCCOCCCNCCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s8;s13;s2;d15;s15;s17;s18;s19;s20;s17s21;s20;s23;s24;d25;s26;d27;d24s28;s29;s30;s28;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H36N2O5 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.77869 |
Area: | 708.797 |
Solvation: | -8.94123 |
Coulombic: | -50.0647 |
Bond Count [?]
All: | 35 |
Single: | 28 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 456.575 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 2.61 |
LogP (Chemaxon): | 2.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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