Chemical ID: 4153196

CCOC(=O)c1ccccc1NC(=O)CCCOc2ccccc2C
Chemical ID:
4153196
Name [?]:
ethyl 2-[4-(2-methylphenoxy)butanoylamino]benzoate
SMILES [?]:
CCOC(=O)c1ccccc1NC(=O)CCCOc2ccccc2C
InChi [?]:
InChI=1/C20H23NO4/c1-3-24-20(23)16-10-5-6-11-17(16)21-19(22)13-8-14-25-18-12-7-4-9-15(18)2/h4-7,9-12H,3,8,13-14H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,2,22,8,9,21,16,23,7,10,20,15,17,24,6,11,19,13,4,12,14,5,3,18/rA:25nCCOCOCCCCCCNCOCCCOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s15;s16;s17;s18;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23NO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.7495
Area:589.973
Solvation:-3.99984
Coulombic:-48.5843
Bond Count [?]
All:26
Single:18
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:341.401
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.2
LogP (Chemaxon):4.32

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Experimental Annotations

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Descriptor Annotations

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