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Chemical ID: 5908955
Chemical ID:
5908955
Name [?]:
N-[(2-furylmethyl-phenethyl-carbamoyl)methyl]-N-isobutyl-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)CN(CC(=O)N(CCc1ccccc1)Cc2ccco2)C(=O)C(C)(C)C
InChi [?]:
InChI=1/C24H34N2O3/c1-19(2)16-26(23(28)24(3,4)5)18-22(27)25(17-21-12-9-15-29-21)14-13-20-10-7-6-8-11-20/h6-12,15,19H,13-14,16-18H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,27,28,29,15,14,16,21,13,17,20,11,10,22,4,18,6,2,12,19,7,24,26,9,5,8,25,23/E:(1,2)(3,4,5)(7,8)(10,11)/rA:29nCCCCNCCONCCCCCCCCCCCCCOCOCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s9;s18;d19;s20;d21;s19s22;s5;d24;s24;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H34N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5153 |
Area: | 632.77 |
Solvation: | -4.30399 |
Coulombic: | -41.689 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 398.538 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.27 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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