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Chemical ID: 5798681
Chemical ID:
5798681
Name [?]:
N-benzyl-3-(4-methoxyphenyl)-N-methyl-prop-2-enamide
SMILES [?]:
CN(Cc1ccccc1)C(=O)C=Cc2ccc(cc2)OC
InChi [?]:
InChI=1/C18H19NO2/c1-19(14-16-6-4-3-5-7-16)18(20)13-10-15-8-11-17(21-2)12-9-15/h3-13H,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,7,6,8,5,9,15,19,13,16,18,12,3,14,4,17,10,2,11,20/E:(4,5)(6,7)(8,9)(11,12)/rA:21nCNCCCCCCCCOCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.14528 |
Area: | 472.354 |
Solvation: | -3.66358 |
Coulombic: | -26.171 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 281.349 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.47 |
LogP (Chemaxon): | 3.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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