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Chemical ID: 4358701
Chemical ID:
4358701
Name [?]:
propyl 4-[2-(4-ethylphenoxy)acetyl]aminobenzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2)CC
InChi [?]:
InChI=1/C20H23NO4/c1-3-13-24-20(23)16-7-9-17(10-8-16)21-19(22)14-25-18-11-5-15(4-2)6-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,2,24,20,22,8,12,9,11,19,23,3,16,21,7,10,18,14,5,13,15,6,4,17/E:(5,6)(7,8)(9,10)(11,12)/rA:25nCCCOCOCCCCCCNCOCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3617 |
Area: | 602.621 |
Solvation: | -4.70382 |
Coulombic: | -49.2087 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 341.401 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.29 |
LogP (Chemaxon): | 4.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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