Chemical ID: 4465182

CC(c1ccccc1)(c2ccccc2)C(=O)Nc3ccc(cc3)CN4CCCCC4
Chemical ID:
4465182
Name [?]:
2,2-diphenyl-N-[4-(1-piperidylmethyl)phenyl]-propanamide
SMILES [?]:
CC(c1ccccc1)(c2ccccc2)C(=O)Nc3ccc(cc3)CN4CCCCC4
InChi [?]:
InChI=1/C27H30N2O/c1-27(23-11-5-2-6-12-23,24-13-7-3-8-14-24)26(30)28-25-17-15-22(16-18-25)21-29-19-9-4-10-20-29/h2-3,5-8,11-18H,4,9-10,19-21H2,1H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,6,12,28,5,7,11,13,27,29,4,8,10,14,20,22,19,23,26,30,24,21,3,9,18,15,2,17,25,16/E:(2,3)(5,6,7,8)(9,10)(11,12,13,14)(15,16)(17,18)(19,20)(23,24)/rA:30nCCCCCCCCCCCCCCCONCCCCCCCNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s11;d12;d9s13;s2;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H30N2O
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.9388
Area:628.54
Solvation:-2.77471
Coulombic:-30.6274
Bond Count [?]
All:33
Single:23
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:398.54
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.8
LogP (Chemaxon):6.35

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