Chemical ID: 7491818

CCCOC(=O)c1ccc(cc1)NC(=O)c2ccccc2OCC(C)C
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

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Descriptor Annotations

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