Chemical ID: 4152284

CCCCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(c(c2)C)C(C)C
Chemical ID:
4152284
Name [?]:
butyl 4-[2-(4-isopropyl-3-methyl-phenoxy)acetyl]aminobenzoate
SMILES [?]:
CCCCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(c(c2)C)C(C)C
InChi [?]:
InChI=1/C23H29NO4/c1-5-6-13-27-23(26)18-7-9-19(10-8-18)24-22(25)15-28-20-11-12-21(16(2)3)17(4)14-20/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,28,25,2,3,9,13,10,12,20,21,4,24,17,26,23,8,11,19,22,15,6,14,16,7,5,18/E:(2,3)(7,8)(9,10)/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;s23;s22;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H29NO4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.9621
Area:666.06
Solvation:-4.68943
Coulombic:-49.6364
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:5.8
LogP (Chemaxon):5.29

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