Chemical ID: 5531803

CCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(c(c2)C)C
Chemical ID:
5531803
Name [?]:
ethyl 4-[2-(3,4-dimethylphenoxy)acetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(c(c2)C)C
InChi [?]:
InChI=1/C19H21NO4/c1-4-23-19(22)15-6-8-16(9-7-15)20-18(21)12-24-17-10-5-13(2)14(3)11-17/h5-11H,4,12H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,24,23,2,19,7,11,8,10,18,22,15,20,21,6,9,17,13,4,12,14,5,3,16/E:(6,7)(8,9)/rA:24nCCOCOCCCCCCNCOCOCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21NO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.54599
Area:571.165
Solvation:-4.73314
Coulombic:-48.1869
Bond Count [?]
All:25
Single:17
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:327.374
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.91
LogP (Chemaxon):3.7

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Descriptor Annotations

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