Chemical ID: 7487316

CCCCOc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OCC
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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