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Chemical ID: 6882601
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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