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Chemical ID: 5908565
Chemical ID:
5908565
Name [?]:
N-[(2-furylmethyl-phenethyl-carbamoyl)methyl]-N-tert-butyl-butanamide
SMILES [?]:
CCCC(=O)N(CC(=O)N(CCc1ccccc1)Cc2ccco2)C(C)(C)C
InChi [?]:
InChI=1/C23H32N2O3/c1-5-10-21(26)25(23(2,3)4)18-22(27)24(17-20-13-9-16-28-20)15-14-19-11-7-6-8-12-19/h6-9,11-13,16H,5,10,14-15,17-18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,26,27,28,2,16,15,17,22,3,14,18,21,12,11,23,19,7,13,20,4,8,25,10,6,5,9,24/E:(2,3,4)(7,8)(11,12)/rA:28nCCCCONCCONCCCCCCCCCCCCCOCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s10;s19;d20;s21;d22;s20s23;s6;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H32N2O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3028 |
Area: | 617.024 |
Solvation: | -4.12281 |
Coulombic: | -40.5774 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 384.512 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.56 |
LogP (Chemaxon): | 3.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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