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Chemical ID: 4465182
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
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Experimental Annotations
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Descriptor Annotations
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