Chemical ID: 6650526

Cc1cccc(c1)C(=O)NCC(=O)NN=Cc2cccc(c2)OCC=C
Chemical ID:
6650526
Name [?]:
N-[(3-allyloxyphenyl)methyleneaminocarbamoylmethyl]-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)NCC(=O)NN=Cc2cccc(c2)OCC=C
InChi [?]:
InChI=1/C20H21N3O3/c1-3-10-26-18-9-5-7-16(12-18)13-22-23-19(24)14-21-20(25)17-8-4-6-15(2)11-17/h3-9,11-13H,1,10,14H2,2H3,(H,21,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:26,1,25,4,19,3,18,5,20,24,7,22,16,11,2,17,6,21,12,8,10,15,14,13,9,23/rA:26nCCCCCCCCONCCONNCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.177
Area:613.129
Solvation:-5.15121
Coulombic:-50.2204
Bond Count [?]
All:27
Single:17
Double:10
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:351.399
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.13
LogP (Chemaxon):3.12

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