Chemical ID: 3943478

COc1ccc(cc1OC)NC(=O)C(=O)NC2CCN(CC2)Cc3ccccc3
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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