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Chemical ID: 7487316
Chemical ID:
7487316
Name [?]:
ethyl 4-(2-butoxybenzoyl)aminobenzoate
SMILES [?]:
CCCCOc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OCC
InChi [?]:
InChI=1/C20H23NO4/c1-3-5-14-25-18-9-7-6-8-17(18)19(22)21-16-12-10-15(11-13-16)20(23)24-4-2/h6-13H,3-5,14H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,2,24,3,9,8,10,7,17,19,16,20,4,18,15,11,6,12,21,14,13,22,23,5/E:(10,11)(12,13)/rA:25nCCCCOCCCCCCCONCCCCCCCOOCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO4 |
All Atoms: | 48 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4384 |
Area: | 594.786 |
Solvation: | -4.43121 |
Coulombic: | -49.3938 |
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: | 4.62 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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