Chemical ID: 6876278

Cc1ccc(c(c1)C)NC(=O)c2ccc(cc2)OC(C)C(=O)NN
Chemical ID:
6876278
Name [?]:
4-[1-(aminocarbamoyl)ethoxy]-N-(2,4-dimethylphenyl)-benzamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)c2ccc(cc2)OC(C)C(=O)NN
InChi [?]:
InChI=1/C18H21N3O3/c1-11-4-9-16(12(2)10-11)20-18(23)14-5-7-15(8-6-14)24-13(3)17(22)21-19/h4-10,13H,19H2,1-3H3,(H,20,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,20,3,13,17,14,16,4,7,2,6,19,12,15,5,21,10,24,9,23,22,11,18/E:(5,6)(7,8)/rA:24cCCCCCCCCNCOCCCCCCOCCCONN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;s19;d21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21N3O3
All Atoms:45
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.51309
Area:555.962
Solvation:-5.38596
Coulombic:-56.4885
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:327.378
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:2.27
LogP (Chemaxon):2.34

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