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Chemical ID: 4144470
Chemical ID:
4144470
Name [?]:
methyl 2-[2-(2,3-dimethylphenoxy)acetyl]aminobenzoate
SMILES [?]:
Cc1cccc(c1C)OCC(=O)Nc2ccccc2C(=O)OC
InChi [?]:
InChI=1/C18H19NO4/c1-12-7-6-10-16(13(12)2)23-11-17(20)19-15-9-5-4-8-14(15)18(21)22-3/h4-10H,11H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,23,17,16,4,3,18,15,5,10,2,7,19,14,6,11,20,13,12,21,22,9/rA:23nCCCCCCCCOCCONCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.07175 |
Area: | 527.243 |
Solvation: | -4.10933 |
Coulombic: | -49.1352 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 313.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.7 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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