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Chemical ID: 5558829
Chemical ID:
5558829
Name [?]:
N-butyl-3-(3,4-dimethoxyphenyl)-prop-2-enamide
SMILES [?]:
CCCCNC(=O)C=Cc1ccc(c(c1)OC)OC
InChi [?]:
InChI=1/C15H21NO3/c1-4-5-10-16-15(17)9-7-12-6-8-13(18-2)14(11-12)19-3/h6-9,11H,4-5,10H2,1-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,19,17,2,3,11,9,12,8,4,15,10,13,14,6,5,7,18,16/rA:19nCCCCNCOCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.77477 |
Area: | 482.543 |
Solvation: | -5.28881 |
Coulombic: | -36.151 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 263.332 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.61 |
LogP (Chemaxon): | 2.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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