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Chemical ID: 4153196
Chemical ID:
4153196
Name [?]:
ethyl 2-[4-(2-methylphenoxy)butanoylamino]benzoate
SMILES [?]:
CCOC(=O)c1ccccc1NC(=O)CCCOc2ccccc2C
InChi [?]:
InChI=1/C20H23NO4/c1-3-24-20(23)16-10-5-6-11-17(16)21-19(22)13-8-14-25-18-12-7-4-9-15(18)2/h4-7,9-12H,3,8,13-14H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,2,22,8,9,21,16,23,7,10,20,15,17,24,6,11,19,13,4,12,14,5,3,18/rA:25nCCOCOCCCCCCNCOCCCOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s15;s16;s17;s18;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7495 |
Area: | 589.973 |
Solvation: | -3.99984 |
Coulombic: | -48.5843 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 341.401 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.2 |
LogP (Chemaxon): | 4.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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