Chemical ID: 7489830

CCOC(=O)c1ccc(cc1)NC(=O)c2ccccc2OCCC(C)C
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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