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Chemical ID: 5911137
Chemical ID:
5911137
Name [?]:
N-benzyl-N-(2-furylmethyl)-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)N(Cc2ccccc2)Cc3ccco3
InChi [?]:
InChI=1/C20H19NO3/c1-23-18-11-9-17(10-12-18)20(22)21(15-19-8-5-13-24-19)14-16-6-3-2-4-7-16/h2-13H,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,22,14,18,21,5,7,4,8,23,12,19,13,6,3,20,9,11,10,2,24/E:(3,4)(6,7)(9,10)(11,12)/rA:24nCOCCCCCCCONCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s11;s19;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.95396 |
Area: | 522.26 |
Solvation: | -4.10254 |
Coulombic: | -33.8694 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 321.37 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.6 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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