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Chemical ID: 7489143
Chemical ID:
7489143
Name [?]:
propyl 4-[2-(4-methoxyphenoxy)propanoylamino]benzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)NC(=O)C(C)Oc2ccc(cc2)OC
InChi [?]:
InChI=1/C20H23NO5/c1-4-13-25-20(23)15-5-7-16(8-6-15)21-19(22)14(2)26-18-11-9-17(24-3)10-12-18/h5-12,14H,4,13H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,17,26,2,8,12,9,11,21,23,20,24,3,16,7,10,22,19,14,5,13,15,6,25,4,18/E:(5,6)(7,8)(9,10)(11,12)/rA:26cCCCOCOCCCCCCNCOCCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s16;s18;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO5 |
All Atoms: | 49 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.60569 |
Area: | 610.463 |
Solvation: | -5.65589 |
Coulombic: | -56.222 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 357.4 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.83 |
LogP (Chemaxon): | 3.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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