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Chemical ID: 7500844
Chemical ID:
7500844
Name [?]:
propyl 4-[2-(2-phenoxyethoxy)benzoyl]aminobenzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)NC(=O)c2ccccc2OCCOc3ccccc3
InChi [?]:
InChI=1/C25H25NO5/c1-2-16-31-25(28)19-12-14-20(15-13-19)26-24(27)22-10-6-7-11-23(22)30-18-17-29-21-8-4-3-5-9-21/h3-15H,2,16-18H2,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,29,28,30,18,19,27,31,17,20,8,12,9,11,3,24,23,7,10,26,16,21,14,5,13,15,6,25,22,4/E:(4,5)(8,9)(12,13)(14,15)/rA:31nCCCOCOCCCCCCNCOCCCCCCOCCOCCCCCC/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;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H25NO5 |
All Atoms: | 56 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6394 |
Area: | 695.528 |
Solvation: | -6.7488 |
Coulombic: | -56.9101 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 419.47 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.08 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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