Chemical ID: 6875917

CCCCc1ccc(cc1)NC(=O)c2ccc(cc2)OCC(=O)OC(C)C
Chemical ID:
6875917
Name [?]:
isopropyl 2-[4-[(4-butylphenyl)carbamoyl]phenoxy]acetate
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)c2ccc(cc2)OCC(=O)OC(C)C
InChi [?]:
InChI=1/C22H27NO4/c1-4-5-6-17-7-11-19(12-8-17)23-22(25)18-9-13-20(14-10-18)26-15-21(24)27-16(2)3/h7-14,16H,4-6,15H2,1-3H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,26,27,2,3,4,6,10,15,19,7,9,16,18,21,25,5,14,8,17,22,12,11,23,13,20,24/E:(2,3)(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCCCCCNCOCCCCCCOCCOOCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s22;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27NO4
All Atoms:54
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.8532
Area:649.59
Solvation:-4.38657
Coulombic:-49.8614
Bond Count [?]
All:28
Single:20
Double:8
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:369.454
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.53
LogP (Chemaxon):4.84

Name Annotations

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Descriptor Annotations

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