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Chemical ID: 5909881
Chemical ID:
5909881
Name [?]:
N-[(benzyl-(2-furylmethyl)carbamoyl)methyl]-N-tert-butyl-hexanamide
SMILES [?]:
CCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc2ccco2)C(C)(C)C
InChi [?]:
InChI=1/C24H34N2O3/c1-5-6-8-15-22(27)26(24(2,3)4)19-23(28)25(18-21-14-11-16-29-21)17-20-12-9-7-10-13-20/h7,9-14,16H,5-6,8,15,17-19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,28,29,2,3,17,4,16,18,23,15,19,22,5,24,13,20,9,14,21,6,10,26,12,8,7,11,25/E:(2,3,4)(9,10)(12,13)/rA:29nCCCCCCONCCONCCCCCCCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s12;s20;d21;s22;d23;s21s24;s8;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H34N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7514 |
Area: | 632.683 |
Solvation: | -4.06569 |
Coulombic: | -41.087 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 398.538 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.54 |
LogP (Chemaxon): | 3.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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