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Chemical ID: 5911192
Chemical ID:
5911192
Name [?]:
N-benzyl-N-(2-furylmethyl)-2,6-dimethoxy-benzamide
SMILES [?]:
COc1cccc(c1C(=O)N(Cc2ccccc2)Cc3ccco3)OC
InChi [?]:
InChI=1/C21H21NO4/c1-24-18-11-6-12-19(25-2)20(18)21(23)22(15-17-10-7-13-26-17)14-16-8-4-3-5-9-16/h3-13H,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,16,15,17,5,22,14,18,21,4,6,23,12,19,13,20,3,7,8,9,11,10,2,25,24/E:(1,2)(4,5)(8,9)(11,12)(18,19)(24,25)/rA:26nCOCCCCCCCONCCCCCCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s11;s19;d20;s21;d22;s20s23;s7;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21NO4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.07046 |
Area: | 526.424 |
Solvation: | -6.09015 |
Coulombic: | -38.7838 |
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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