Chemical ID: 5798681

CN(Cc1ccccc1)C(=O)C=Cc2ccc(cc2)OC
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

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Descriptor Annotations

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