Chemical ID: 6884025

CCCCCCOc1ccc(cc1)C(=O)OCC(=O)Nc2ccccc2C
Chemical ID:
6884025
Name [?]:
o-tolylcarbamoylmethyl 4-hexoxybenzoate
SMILES [?]:
CCCCCCOc1ccc(cc1)C(=O)OCC(=O)Nc2ccccc2C
InChi [?]:
InChI=1/C22H27NO4/c1-3-4-5-8-15-26-19-13-11-18(12-14-19)22(25)27-16-21(24)23-20-10-7-6-9-17(20)2/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,27,2,3,4,24,23,5,25,22,10,12,9,13,6,17,26,11,8,21,18,14,20,19,15,7,16/E:(11,12)(13,14)/rA:27nCCCCCCOCCCCCCCOOCCONCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27NO4
All Atoms:54
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.9536
Area:653.022
Solvation:-4.37197
Coulombic:-49.9949
Bond Count [?]
All:28
Single:20
Double:8
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:369.454
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.32
LogP (Chemaxon):4.24

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Descriptor Annotations

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