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Chemical ID: 6032126
Chemical ID:
6032126
Name [?]:
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-carbamoyl]ethyl]-N-isopropyl-furan-3-carboxamide
SMILES [?]:
CC(C)N(CCC(=O)N(C)CCc1ccc(c(c1)OC)OC)C(=O)c2ccoc2
InChi [?]:
InChI=1/C22H30N2O5/c1-16(2)24(22(26)18-10-13-29-15-18)12-9-21(25)23(3)11-8-17-6-7-19(27-4)20(14-17)28-5/h6-7,10,13-16H,8-9,11-12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,10,22,20,14,15,12,6,26,11,5,27,18,29,2,13,25,16,17,7,23,9,4,8,24,21,19,28/E:(1,2)/rA:29nCCCNCCCONCCCCCCCCCOCOCCOCCCOC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s4;d23;s23;s25;d26;s27;d25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H30N2O5 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.17052 |
Area: | 651.066 |
Solvation: | -7.10613 |
Coulombic: | -52.5829 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 402.484 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.96 |
LogP (Chemaxon): | 2.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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