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Chemical ID: 3948648
Chemical ID:
3948648
Name [?]:
N-(4-methoxyphenyl)-2-[4-(4-methylbenzoyl)-1-piperidyl]-acetamide
SMILES [?]:
Cc1ccc(cc1)C(=O)C2CCN(CC2)CC(=O)Nc3ccc(cc3)OC
InChi [?]:
InChI=1/C22H26N2O3/c1-16-3-5-17(6-4-16)22(26)18-11-13-24(14-12-18)15-21(25)23-19-7-9-20(27-2)10-8-19/h3-10,18H,11-15H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,27,3,7,4,6,21,25,22,24,11,15,12,14,16,2,5,10,20,23,17,8,19,13,18,9,26/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCCCOCCCNCCCCONCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H26N2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60775 |
Area: | 603.349 |
Solvation: | -5.47597 |
Coulombic: | -40.5649 |
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: | 3.01 |
LogP (Chemaxon): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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