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Chemical ID: 6399935
Chemical ID:
6399935
Name [?]:
(3,5-dimethyl-1-piperidyl)-(3,4,5-triethoxyphenyl)-methanone
SMILES [?]:
CCOc1cc(cc(c1OCC)OCC)C(=O)N2CC(CC(C2)C)C
InChi [?]:
InChI=1/C20H31NO4/c1-6-23-17-10-16(11-18(24-7-2)19(17)25-8-3)20(22)21-12-14(4)9-15(5)13-21/h10-11,14-15H,6-9,12-13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,15,12,24,25,2,14,11,21,5,7,23,19,22,20,6,4,8,9,16,18,17,3,13,10/E:(1,2)(4,5)(6,7)(10,11)(12,13)(14,15)(17,18)(23,24)/rA:25cCCOCCCCCCOCCOCCCONCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s8;s13;s14;s6;d16;s16;s18;s19;s20;s21;s18s22;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H31NO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.98973 |
Area: | 585.521 |
Solvation: | -5.64829 |
Coulombic: | -39.5822 |
Bond Count [?]
All: | 26 |
Single: | 22 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 349.464 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.64 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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