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Chemical ID: 3943478
Chemical ID:
3943478
Name [?]:
N'-(1-benzyl-4-piperidyl)-N-(3,4-dimethoxyphenyl)-oxamide
SMILES [?]:
COc1ccc(cc1OC)NC(=O)C(=O)NC2CCN(CC2)Cc3ccccc3
InChi [?]:
InChI=1/C22H27N3O4/c1-28-19-9-8-18(14-20(19)29-2)24-22(27)21(26)23-17-10-12-25(13-11-17)15-16-6-4-3-5-7-16/h3-9,14,17H,10-13,15H2,1-2H3,(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,10,27,26,28,25,29,5,4,18,22,19,21,7,23,24,17,6,3,8,14,12,16,11,20,15,13,2,9/E:(4,5)(6,7)(10,11)(12,13)/rA:29nCOCCCCCCOCNCOCONCCCNCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;d14;s14;s16;s17;s18;s19;s20;s17s21;s20;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H27N3O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1191 |
Area: | 643.79 |
Solvation: | -5.97568 |
Coulombic: | -65.8516 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 397.468 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.13 |
LogP (Chemaxon): | 1.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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