Chemical ID: 4143329

CCCCOC(=O)c1ccc(cc1)NC(=O)COc2ccccc2C(C)(C)C
Chemical ID:
4143329
Name [?]:
butyl 4-[2-(2-tert-butylphenoxy)acetyl]aminobenzoate
SMILES [?]:
CCCCOC(=O)c1ccc(cc1)NC(=O)COc2ccccc2C(C)(C)C
InChi [?]:
InChI=1/C23H29NO4/c1-5-6-15-27-22(26)17-11-13-18(14-12-17)24-21(25)16-28-20-10-8-7-9-19(20)23(2,3)4/h7-14H,5-6,15-16H2,1-4H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,26,27,28,2,3,22,21,23,20,9,13,10,12,4,17,8,11,24,19,15,6,25,14,16,7,5,18/E:(2,3,4)(11,12)(13,14)/rA:28nCCCCOCOCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H29NO4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.818
Area:649.849
Solvation:-4.42821
Coulombic:-50.276
Bond Count [?]
All:29
Single:21
Double:8
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:383.481
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.57
LogP (Chemaxon):5.26

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