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Chemical ID: 5366584
Chemical ID:
5366584
Name [?]:
N-[acetamido-(4-hexoxy-3-methoxy-phenyl)-methyl]acetamide
SMILES [?]:
CCCCCCOc1ccc(cc1OC)C(NC(=O)C)NC(=O)C
InChi [?]:
InChI=1/C18H28N2O4/c1-5-6-7-8-11-24-16-10-9-15(12-17(16)23-4)18(19-13(2)21)20-14(3)22/h9-10,12,18H,5-8,11H2,1-4H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,20,24,15,2,3,4,5,10,9,6,12,18,22,11,8,13,16,17,21,19,23,14,7/E:(2,3)(13,14)(19,20)(21,22)/gE:(1,2)/rA:24nCCCCCCOCCCCCCOCCNCOCNCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s11;s16;s17;d18;s18;s16;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H28N2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.93478 |
Area: | 596.889 |
Solvation: | -6.98745 |
Coulombic: | -53.6306 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 336.426 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.21 |
LogP (Chemaxon): | 1.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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