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Chemical ID: 7491818
Chemical ID:
7491818
Name [?]:
propyl 4-(2-isobutoxybenzoyl)aminobenzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)NC(=O)c2ccccc2OCC(C)C
InChi [?]:
InChI=1/C21H25NO4/c1-4-13-25-21(24)16-9-11-17(12-10-16)22-20(23)18-7-5-6-8-19(18)26-14-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,26,2,18,19,17,20,8,12,9,11,3,23,24,7,10,16,21,14,5,13,15,6,4,22/E:(2,3)(9,10)(11,12)/rA:26nCCCOCOCCCCCCNCOCCCCCCOCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s22;s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25NO4 |
All Atoms: | 51 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.965 |
Area: | 612.586 |
Solvation: | -4.3497 |
Coulombic: | -49.8916 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 355.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.7 |
LogP (Chemaxon): | 4.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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