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Chemical ID: 4408334
Chemical ID:
4408334
Name [?]:
N-(2-ethoxyphenyl)-1-(2-methylbenzoyl)-piperidine-4-carboxamide
SMILES [?]:
CCOc1ccccc1NC(=O)C2CCN(CC2)C(=O)c3ccccc3C
InChi [?]:
InChI=1/C22H26N2O3/c1-3-27-20-11-7-6-10-19(20)23-21(25)17-12-14-24(15-13-17)22(26)18-9-5-4-8-16(18)2/h4-11,17H,3,12-15H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,27,2,24,23,7,6,25,22,8,5,14,18,15,17,26,13,21,9,4,11,19,10,16,12,20,3/E:(12,13)(14,15)/rA:27nCCOCCCCCCNCOCCCNCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H26N2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0202 |
Area: | 594.379 |
Solvation: | -3.83928 |
Coulombic: | -46.9504 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 366.454 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.62 |
LogP (Chemaxon): | 3.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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