Chemical ID: 5862809

COc1ccc(c(c1)OC)CNCCNC(=O)c2cc(c(c(c2)OC)OC)OC
Chemical ID:
5862809
Name [?]:
N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]-3,4,5-trimethoxy-benzamide
SMILES [?]:
COc1ccc(c(c1)OC)CNCCNC(=O)c2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C21H28N2O6/c1-25-16-7-6-14(17(12-16)26-2)13-22-8-9-23-21(24)15-10-18(27-3)20(29-5)19(11-15)28-4/h6-7,10-12,22H,8-9,13H2,1-5H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,10,25,29,27,5,4,13,14,23,19,8,11,6,18,3,7,22,20,21,16,12,15,17,2,9,24,28,26/E:(3,4)(10,11)(18,19)(27,28)/rA:29nCOCCCCCCOCCNCCNCOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;s12;s13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s20;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H28N2O6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:7.50534
Area:663.795
Solvation:-9.08953
Coulombic:-65.5511
Bond Count [?]
All:30
Single:23
Double:7
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:404.457
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:1.92
LogP (Chemaxon):1.07

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Descriptor Annotations

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