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Chemical ID: 4492530
Chemical ID:
4492530
Name [?]:
N-cyclohexyl-2-[4-[(2-hydroxy-1,1-dimethyl-ethyl)aminomethyl]-2-methoxy-phenoxy]-acetamide
SMILES [?]:
CC(C)(CO)NCc1ccc(c(c1)OC)OCC(=O)NC2CCCCC2
InChi [?]:
InChI=1/C20H32N2O4/c1-20(2,14-23)21-12-15-9-10-17(18(11-15)25-3)26-13-19(24)22-16-7-5-4-6-8-16/h9-11,16,21,23H,4-8,12-14H2,1-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,15,24,23,25,22,26,9,10,13,7,17,4,8,21,11,12,18,2,6,20,5,19,14,16/E:(1,2)(5,6)(7,8)/rA:26nCCCCONCCCCCCCOCOCCONCCCCCC/rB:s1;s2;s2;s4;s2;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;s17;d18;s18;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H32N2O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.06136 |
Area: | 617.451 |
Solvation: | -7.37492 |
Coulombic: | -60.9153 |
Bond Count [?]
All: | 27 |
Single: | 23 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 364.479 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 2.26 |
LogP (Chemaxon): | 1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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