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Chemical ID: 4380565
Chemical ID:
4380565
Name [?]:
1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILES [?]:
COc1ccc(cc1)CNC(=O)C2CCN(CC2)Cc3ccc(c(c3)OC)OCc4ccccc4
InChi [?]:
InChI=1/C29H34N2O4/c1-33-26-11-8-22(9-12-26)19-30-29(32)25-14-16-31(17-15-25)20-24-10-13-27(28(18-24)34-2)35-21-23-6-4-3-5-7-23/h3-13,18,25H,14-17,19-21H2,1-2H3,(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,27,33,32,34,31,35,5,7,21,4,8,22,14,18,15,17,25,9,19,29,6,30,20,13,3,23,24,11,10,16,12,2,26,28/E:(4,5)(6,7)(8,9)(11,12)(14,15)(16,17)/rA:35nCOCCCCCCCNCOCCCNCCCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H34N2O4 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2984 |
Area: | 769.589 |
Solvation: | -7.94131 |
Coulombic: | -49.2688 |
Bond Count [?]
All: | 38 |
Single: | 28 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 474.591 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.38 |
LogP (Chemaxon): | 4.16 |
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.
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