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Chemical ID: 4203974
Chemical ID:
4203974
Name [?]:
1-[(2,3-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILES [?]:
COc1ccc(cc1)CNC(=O)C2CCN(CC2)Cc3cccc(c3OC)OC
InChi [?]:
InChI=1/C23H30N2O4/c1-27-20-9-7-17(8-10-20)15-24-23(26)18-11-13-25(14-12-18)16-19-5-4-6-21(28-2)22(19)29-3/h4-10,18H,11-16H2,1-3H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,29,27,22,21,23,5,7,4,8,14,18,15,17,9,19,6,13,20,3,24,25,11,10,16,12,2,28,26/E:(7,8)(9,10)(11,12)(13,14)/rA:29nCOCCCCCCCNCOCCCNCCCCCCCCCOCOC/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;s25;s26;s24;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.31604 |
Area: | 638.884 |
Solvation: | -6.65607 |
Coulombic: | -48.4291 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 398.495 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.67 |
LogP (Chemaxon): | 2.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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