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Chemical ID: 5830206
Chemical ID:
5830206
Name [?]:
N-benzyl-N-ethyl-1-(p-tolylmethyl)piperidine-4-carboxamide
SMILES [?]:
CCN(Cc1ccccc1)C(=O)C2CCN(CC2)Cc3ccc(cc3)C
InChi [?]:
InChI=1/C23H30N2O/c1-3-25(18-20-7-5-4-6-8-20)23(26)22-13-15-24(16-14-22)17-21-11-9-19(2)10-12-21/h4-12,22H,3,13-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,8,7,9,6,10,22,24,21,25,14,18,15,17,19,4,23,5,20,13,11,16,3,12/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:26nCCNCCCCCCCCOCCCNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30N2O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8784 |
Area: | 590.708 |
Solvation: | -2.88931 |
Coulombic: | -23.7178 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 350.497 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.19 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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