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Chemical ID: 3638203
Chemical ID:
3638203
Name [?]:
N-[(4-dimethylaminophenyl)methyl]-N-(4-ethoxyphenyl)-furan-2-carboxamide
SMILES [?]:
CCOc1ccc(cc1)N(Cc2ccc(cc2)N(C)C)C(=O)c3ccco3
InChi [?]:
InChI=1/C22H24N2O3/c1-4-26-20-13-11-19(12-14-20)24(22(25)21-6-5-15-27-21)16-17-7-9-18(10-8-17)23(2)3/h5-15H,4,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,20,2,25,24,13,17,14,16,6,8,5,9,26,11,12,15,7,4,23,21,18,10,22,3,27/E:(2,3)(7,8)(9,10)(11,12)(13,14)/rA:27nCCOCCCCCCNCCCCCCCNCCCOCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s15;s18;s18;s10;d21;s21;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5718 |
Area: | 580.503 |
Solvation: | -3.94083 |
Coulombic: | -40.7632 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 364.438 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.09 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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