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Chemical ID: 5911144
Chemical ID:
5911144
Name [?]:
N-benzyl-N-(2-furylmethyl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(Cc2ccccc2)Cc3ccco3
InChi [?]:
InChI=1/C20H19NO2/c1-16-9-11-18(12-10-16)20(22)21(15-19-8-5-13-23-19)14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,21,13,17,20,3,7,4,6,22,11,18,2,12,5,19,8,10,9,23/E:(3,4)(6,7)(9,10)(11,12)/rA:23nCCCCCCCCONCCCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s10;s18;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.81326 |
Area: | 507.166 |
Solvation: | -2.8659 |
Coulombic: | -27.5146 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 305.37 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.12 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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