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Chemical ID: 5562167
Chemical ID:
5562167
Name [?]:
N-benzyl-1-[(4-benzyloxyphenyl)methyl]-N-ethyl-piperidine-4-carboxamide
SMILES [?]:
CCN(Cc1ccccc1)C(=O)C2CCN(CC2)Cc3ccc(cc3)OCc4ccccc4
InChi [?]:
InChI=1/C29H34N2O2/c1-2-31(22-24-9-5-3-6-10-24)29(32)27-17-19-30(20-18-27)21-25-13-15-28(16-14-25)33-23-26-11-7-4-8-12-26/h3-16,27H,2,17-23H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,31,7,9,30,32,6,10,29,33,21,25,22,24,14,18,15,17,19,4,27,5,20,28,13,23,11,16,3,12,26/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:33nCCNCCCCCCCCOCCCNCCCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;s20;d21;s22;d23;d20s24;s23;s26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H34N2O2 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.4116 |
Area: | 718.092 |
Solvation: | -4.54075 |
Coulombic: | -32.3593 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 442.593 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.38 |
LogP (Chemaxon): | 5.26 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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