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Chemical ID: 4203991
Chemical ID:
4203991
Name [?]:
1-[(4-ethoxyphenyl)methyl]-N-phenethyl-piperidine-4-carboxamide
SMILES [?]:
CCOc1ccc(cc1)CN2CCC(CC2)C(=O)NCCc3ccccc3
InChi [?]:
InChI=1/C23H30N2O2/c1-2-27-22-10-8-20(9-11-22)18-25-16-13-21(14-17-25)23(26)24-15-12-19-6-4-3-5-7-19/h3-11,21H,2,12-18H2,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,26,23,27,6,8,5,9,21,13,15,20,12,16,10,22,7,14,4,17,19,11,18,3/E:(4,5)(6,7)(8,9)(10,11)(13,14)(16,17)/rA:27nCCOCCCCCCCNCCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30N2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6275 |
Area: | 633.258 |
Solvation: | -4.20391 |
Coulombic: | -34.9545 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 366.497 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.68 |
LogP (Chemaxon): | 3.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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