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Chemical ID: 5773400
Chemical ID:
5773400
Name [?]:
N-hexyl-2,4-dimethoxy-benzamide
SMILES [?]:
CCCCCCNC(=O)c1ccc(cc1OC)OC
InChi [?]:
InChI=1/C15H23NO3/c1-4-5-6-7-10-16-15(17)13-9-8-12(18-2)11-14(13)19-3/h8-9,11H,4-7,10H2,1-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,19,17,2,3,4,5,12,11,6,14,13,10,15,8,7,9,18,16/rA:19nCCCCCCNCOCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s13;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.78934 |
Area: | 502.705 |
Solvation: | -4.77829 |
Coulombic: | -36.0097 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 265.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.74 |
LogP (Chemaxon): | 2.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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