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Chemical ID: 4152346
Chemical ID:
4152346
Name [?]:
2-(4-isopropyl-3-methyl-phenoxy)-N-[4-(1-piperidyl)phenyl]-acetamide
SMILES [?]:
Cc1cc(ccc1C(C)C)OCC(=O)Nc2ccc(cc2)N3CCCCC3
InChi [?]:
InChI=1/C23H30N2O2/c1-17(2)22-12-11-21(15-18(22)3)27-16-23(26)24-19-7-9-20(10-8-19)25-13-5-4-6-14-25/h7-12,15,17H,4-6,13-14,16H2,1-3H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:9,10,1,25,24,26,17,21,18,20,5,6,23,27,3,12,8,2,16,19,4,7,13,15,22,14,11/E:(1,2)(5,6)(7,8)(9,10)(13,14)/rA:27nCCCCCCCCCCOCCONCCCCCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s8;s4;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30N2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8321 |
Area: | 614.848 |
Solvation: | -4.5391 |
Coulombic: | -35.2205 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 366.497 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.59 |
LogP (Chemaxon): | 5.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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