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Chemical ID: 6468882
Chemical ID:
6468882
Name [?]:
N'-(benzo[1,3]dioxol-5-ylmethyl)-N-(4-tert-butylcyclohexyl)-oxamide
SMILES [?]:
CC(C)(C)C1CCC(CC1)NC(=O)C(=O)NCc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C20H28N2O4/c1-20(2,3)14-5-7-15(8-6-14)22-19(24)18(23)21-11-13-4-9-16-17(10-13)26-12-25-16/h4,9-10,14-15H,5-8,11-12H2,1-3H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,19,6,10,7,9,20,23,17,25,18,5,8,21,22,14,12,2,16,11,15,13,26,24/E:(1,2,3)(5,6)(7,8)/rA:26nCCCCCCCCCCNCOCONCCCCCCCOCO/rB:s1;s2;s2;s2;s5;s6;s7;s8;s5s9;s8;s11;d12;s12;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28N2O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5878 |
Area: | 596.111 |
Solvation: | -3.31501 |
Coulombic: | -65.0977 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 360.447 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.38 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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