Chemical ID: 6882601

CCOc1ccc(cc1)C(=O)OCC(=O)Nc2ccccc2C
Chemical ID:
6882601
Name [?]:
o-tolylcarbamoylmethyl 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)OCC(=O)Nc2ccccc2C
InChi [?]:
InChI=1/C18H19NO4/c1-3-22-15-10-8-14(9-11-15)18(21)23-12-17(20)19-16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,23,2,20,19,21,18,6,8,5,9,13,22,7,4,17,14,10,16,15,11,3,12/E:(8,9)(10,11)/rA:23nCCOCCCCCCCOOCCONCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19NO4
All Atoms:42
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.24128
Area:545.863
Solvation:-4.40528
Coulombic:-48.5913
Bond Count [?]
All:24
Single:16
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:313.348
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.26
LogP (Chemaxon):2.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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