Chemical ID: 5911163

COc1cc(cc(c1)OC)C(=O)N(Cc2ccccc2)Cc3ccco3
Chemical ID:
5911163
Name [?]:
N-benzyl-N-(2-furylmethyl)-3,5-dimethoxy-benzamide
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)N(Cc2ccccc2)Cc3ccco3
InChi [?]:
InChI=1/C21H21NO4/c1-24-19-11-17(12-20(13-19)25-2)21(23)22(15-18-9-6-10-26-18)14-16-7-4-3-5-8-16/h3-13H,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,18,17,19,24,16,20,23,25,4,6,8,14,21,15,5,22,3,7,11,13,12,2,9,26/E:(1,2)(4,5)(7,8)(11,12)(19,20)(24,25)/rA:26nCOCCCCCCOCCONCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s13;s21;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.0768
Area:554.372
Solvation:-5.78251
Coulombic:-39.205
Bond Count [?]
All:28
Single:19
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:351.396
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.52
LogP (Chemaxon):3.19

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