Chemical ID: 7477357

CCCOC(=O)c1ccc(cc1)NC(=O)C(C)Oc2cccc(c2)C
Chemical ID:
7477357
Name [?]:
propyl 4-[2-(3-methylphenoxy)propanoylamino]benzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)NC(=O)C(C)Oc2cccc(c2)C
InChi [?]:
InChI=1/C20H23NO4/c1-4-12-24-20(23)16-8-10-17(11-9-16)21-19(22)15(3)25-18-7-5-6-14(2)13-18/h5-11,13,15H,4,12H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,17,2,21,22,20,8,12,9,11,3,24,23,16,7,10,19,14,5,13,15,6,4,18/E:(8,9)(10,11)/rA:25cCCCOCOCCCCCCNCOCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23NO4
All Atoms:48
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.6338
Area:595.689
Solvation:-4.25843
Coulombic:-50.0798
Bond Count [?]
All:26
Single:18
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:341.401
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.36
LogP (Chemaxon):4.24

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