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Chemical ID: 6523849
Chemical ID:
6523849
Name [?]:
N-(2,5-diethoxyphenyl)-2-ethyl-hexanamide
SMILES [?]:
CCCCC(CC)C(=O)Nc1cc(ccc1OCC)OCC
InChi [?]:
InChI=1/C18H29NO3/c1-5-9-10-14(6-2)18(20)19-16-13-15(21-7-3)11-12-17(16)22-8-4/h11-14H,5-10H2,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,7,22,19,2,6,21,18,3,4,14,15,12,5,13,11,16,8,10,9,20,17/rA:22cCCCCCCCCONCCCCCCOCCOCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s18;s13;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H29NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0778 |
Area: | 561.821 |
Solvation: | -3.96773 |
Coulombic: | -36.5223 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 307.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.77 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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