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Chemical ID: 7477357
Chemical ID:
7477357
Name [?]:
propyl 4-[2-(3-methylphenoxy)propanoylamino]benzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)NC(=O)C(C)Oc2cccc(c2)C
InChi [?]:
InChI=1/C20H23NO4/c1-4-12-24-20(23)16-8-10-17(11-9-16)21-19(22)15(3)25-18-7-5-6-14(2)13-18/h5-11,13,15H,4,12H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,17,2,21,22,20,8,12,9,11,3,24,23,16,7,10,19,14,5,13,15,6,4,18/E:(8,9)(10,11)/rA:25cCCCOCOCCCCCCNCOCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO4 |
All Atoms: | 48 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6338 |
Area: | 595.689 |
Solvation: | -4.25843 |
Coulombic: | -50.0798 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 341.401 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.36 |
LogP (Chemaxon): | 4.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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