Chemical ID: 4203991

CCOc1ccc(cc1)CN2CCC(CC2)C(=O)NCCc3ccccc3
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue