Chemical ID: 7500844

CCCOC(=O)c1ccc(cc1)NC(=O)c2ccccc2OCCOc3ccccc3
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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