Chemical ID: 4148269

CC(C)COC(=O)c1ccc(cc1)NC(=O)COc2ccccc2C(C)(C)C
Chemical ID:
4148269
Name [?]:
isobutyl 4-[2-(2-tert-butylphenoxy)acetyl]aminobenzoate
SMILES [?]:
CC(C)COC(=O)c1ccc(cc1)NC(=O)COc2ccccc2C(C)(C)C
InChi [?]:
InChI=1/C23H29NO4/c1-16(2)14-28-22(26)17-10-12-18(13-11-17)24-21(25)15-27-20-9-7-6-8-19(20)23(3,4)5/h6-13,16H,14-15H2,1-5H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,26,27,28,22,21,23,20,9,13,10,12,4,17,2,8,11,24,19,15,6,25,14,16,7,18,5/E:(1,2)(3,4,5)(10,11)(12,13)/rA:28nCCCCOCOCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;s2;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:11.595
Area:638.597
Solvation:-4.36995
Coulombic:-50.2956
Bond Count [?]
All:29
Single:21
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:383.481
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.29
LogP (Chemaxon):5.26

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