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Chemical ID: 3638348
Chemical ID:
3638348
Name [?]:
N-[(3,4-dimethoxyphenyl)methyl]-N-(4-ethoxyphenyl)-furan-2-carboxamide
SMILES [?]:
CCOc1ccc(cc1)N(Cc2ccc(c(c2)OC)OC)C(=O)c3ccco3
InChi [?]:
InChI=1/C22H23NO5/c1-4-27-18-10-8-17(9-11-18)23(22(24)20-6-5-13-28-20)15-16-7-12-19(25-2)21(14-16)26-3/h5-14H,4,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,19,2,26,25,13,6,8,5,9,14,27,17,11,12,7,4,15,24,16,22,10,23,20,18,3,28/E:(8,9)(10,11)/rA:28nCCOCCCCCCNCCCCCCCOCOCCOCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s10;d22;s22;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23NO5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.56806 |
Area: | 570.22 |
Solvation: | -6.68744 |
Coulombic: | -48.1459 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 381.422 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.44 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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