Chemical ID: 4152292

Cc1cc(ccc1C(C)C)OCC(=O)Nc2ccc(cc2)C(=O)OCC(C)C
Chemical ID:
4152292
Name [?]:
isobutyl 4-[2-(4-isopropyl-3-methyl-phenoxy)acetyl]aminobenzoate
SMILES [?]:
Cc1cc(ccc1C(C)C)OCC(=O)Nc2ccc(cc2)C(=O)OCC(C)C
InChi [?]:
InChI=1/C23H29NO4/c1-15(2)13-28-23(26)18-6-8-19(9-7-18)24-22(25)14-27-20-10-11-21(16(3)4)17(5)12-20/h6-12,15-16H,13-14H2,1-5H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:27,28,9,10,1,18,20,17,21,5,6,3,25,12,26,8,2,19,16,4,7,13,22,15,14,23,11,24/E:(1,2)(3,4)(6,7)(8,9)/rA:28nCCCCCCCCCCOCCONCCCCCCCOOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s8;s4;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s24;s25;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H29NO4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.8263
Area:660.299
Solvation:-4.68119
Coulombic:-49.6322
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:5.53
LogP (Chemaxon):5.3

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue