Chemical ID: 6652444

Cc1cccc(c1)C(=O)NCC(=O)NN=Cc2ccccc2OCC#C
Chemical ID:
6652444
Name [?]:
3-methyl-N-[(2-prop-2-ynoxyphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)NCC(=O)NN=Cc2ccccc2OCC#C
InChi [?]:
InChI=1/C20H19N3O3/c1-3-11-26-18-10-5-4-8-17(18)13-22-23-19(24)14-21-20(25)16-9-6-7-15(2)12-16/h1,4-10,12-13H,11,14H2,2H3,(H,21,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:26,1,25,19,20,4,3,18,5,21,24,7,16,11,2,6,17,22,12,8,10,15,14,13,9,23/rA:26nCCCCCCCCONCCONNCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;s24;t25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19N3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.97882
Area:610.954
Solvation:-5.29504
Coulombic:-51.2617
Bond Count [?]
All:27
Single:17
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:349.383
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.79
LogP (Chemaxon):2.66

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