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Chemical ID: 7489830
Chemical ID:
7489830
Name [?]:
ethyl 4-(2-isopentyloxybenzoyl)aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)c2ccccc2OCCC(C)C
InChi [?]:
InChI=1/C21H25NO4/c1-4-25-21(24)16-9-11-17(12-10-16)22-20(23)18-7-5-6-8-19(18)26-14-13-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,26,2,17,18,16,19,7,11,8,10,23,22,24,6,9,15,20,13,4,12,14,5,3,21/E:(2,3)(9,10)(11,12)/rA:26nCCOCOCCCCCCNCOCCCCCCOCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s21;s22;s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25NO4 |
All Atoms: | 51 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9129 |
Area: | 612.833 |
Solvation: | -4.40795 |
Coulombic: | -49.7039 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 355.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.12 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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