Chemical ID: 7054432

CCOC(=O)c1ccc(cc1)NC(=O)c2ccnc(c2)C(C)(C)C
Chemical ID:
7054432
Name [?]:
ethyl 4-[(2-tert-butyl-4-pyridyl)carbonylamino]benzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)c2ccnc(c2)C(C)(C)C
InChi [?]:
InChI=1/C19H22N2O3/c1-5-24-18(23)13-6-8-15(9-7-13)21-17(22)14-10-11-20-16(12-14)19(2,3)4/h6-12H,5H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,23,24,2,7,11,8,10,16,17,20,6,15,9,19,13,4,21,18,12,14,5,3/E:(2,3,4)(6,7)(8,9)/rA:24nCCOCOCCCCCCNCOCCCNCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N2O3
All Atoms:46
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.9997
Area:563.396
Solvation:-3.08518
Coulombic:-46.5033
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:326.39
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.16
LogP (Chemaxon):3.71

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