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Chemical ID: 5911162
Chemical ID:
5911162
Name [?]:
N-benzyl-N-(2-furylmethyl)-4-tert-butyl-benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)N(Cc2ccccc2)Cc3ccco3
InChi [?]:
InChI=1/C23H25NO2/c1-23(2,3)20-13-11-19(12-14-20)22(25)24(17-21-10-7-15-26-21)16-18-8-5-4-6-9-18/h4-15H,16-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,18,17,19,24,16,20,23,7,9,6,10,25,14,21,15,8,5,22,11,2,13,12,26/E:(1,2,3)(5,6)(8,9)(11,12)(13,14)/rA:26nCCCCCCCCCCCONCCCCCCCCCCCCO/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s13;s21;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25NO2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3738 |
Area: | 568.121 |
Solvation: | -2.82926 |
Coulombic: | -28.3933 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 347.45 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.5 |
LogP (Chemaxon): | 5.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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