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Chemical ID: 4837910
Chemical ID:
4837910
Name [?]:
ethyl 4-[2-(2-methoxyphenoxy)acetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)COc2ccccc2OC
InChi [?]:
InChI=1/C18H19NO5/c1-3-23-18(21)13-8-10-14(11-9-13)19-17(20)12-24-16-7-5-4-6-15(16)22-2/h4-11H,3,12H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,24,2,20,19,21,18,7,11,8,10,15,6,9,22,17,13,4,12,14,5,23,3,16/E:(8,9)(10,11)/rA:24nCCOCOCCCCCCNCOCOCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.00187 |
Area: | 563.271 |
Solvation: | -7.0799 |
Coulombic: | -54.5575 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 329.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.68 |
LogP (Chemaxon): | 2.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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