Chemical ID: 5558829

CCCCNC(=O)C=Cc1ccc(c(c1)OC)OC
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue