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Chemical ID: 4908985
Chemical ID:
4908985
Name [?]:
N-[1-(1-methyl-2-phenyl-ethyl)-4-piperidyl]-N-phenyl-propanamide
SMILES [?]:
CCC(=O)N(c1ccccc1)C2CCN(CC2)C(C)Cc3ccccc3
InChi [?]:
InChI=1/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-14-16-24(17-15-22)19(2)18-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,24,9,23,25,8,10,22,26,7,11,13,17,14,16,20,18,21,6,12,3,15,5,4/E:(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:26cCCCONCCCCCCCCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s5;s12;s13;s14;s15;s12s16;s15;s18;s18;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30N2O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.862 |
Area: | 575.886 |
Solvation: | -2.53519 |
Coulombic: | -23.549 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 350.497 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.39 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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