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Chemical ID: 4449245
Chemical ID:
4449245
Name [?]:
N-[(4-hydroxy-3-methoxy-phenyl)methyl]-N-(p-tolyl)furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1)N(Cc2ccc(c(c2)OC)O)C(=O)c3ccco3
InChi [?]:
InChI=1/C20H19NO4/c1-14-5-8-16(9-6-14)21(20(23)18-4-3-11-25-18)13-15-7-10-17(22)19(12-15)24-2/h3-12,22H,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,23,22,3,7,11,4,6,12,24,15,9,2,10,5,13,21,14,19,8,18,20,16,25/E:(5,6)(8,9)/rA:25nCCCCCCCNCCCCCCCOCOCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13;s8;d19;s19;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.06367 |
Area: | 507.052 |
Solvation: | -4.61263 |
Coulombic: | -50.7167 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 337.369 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.49 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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