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Chemical ID: 3948627
Chemical ID:
3948627
Name [?]:
2-(4-benzoyl-1-piperidyl)-N-(4-ethylphenyl)-acetamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)CN2CCC(CC2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C22H26N2O2/c1-2-17-8-10-20(11-9-17)23-21(25)16-24-14-12-19(13-15-24)22(26)18-6-4-3-5-7-18/h3-11,19H,2,12-16H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,24,23,25,22,26,4,8,5,7,15,17,14,18,12,3,21,16,6,10,19,9,13,11,20/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:26nCCCCCCCCNCOCNCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H26N2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5051 |
Area: | 591.525 |
Solvation: | -4.283 |
Coulombic: | -34.6707 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 350.454 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.56 |
LogP (Chemaxon): | 3.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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