Chemical ID: 7489143

CCCOC(=O)c1ccc(cc1)NC(=O)C(C)Oc2ccc(cc2)OC
Chemical ID:
7489143
Name [?]:
propyl 4-[2-(4-methoxyphenoxy)propanoylamino]benzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)NC(=O)C(C)Oc2ccc(cc2)OC
InChi [?]:
InChI=1/C20H23NO5/c1-4-13-25-20(23)15-5-7-16(8-6-15)21-19(22)14(2)26-18-11-9-17(24-3)10-12-18/h5-12,14H,4,13H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,17,26,2,8,12,9,11,21,23,20,24,3,16,7,10,22,19,14,5,13,15,6,25,4,18/E:(5,6)(7,8)(9,10)(11,12)/rA:26cCCCOCOCCCCCCNCOCCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s16;s18;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23NO5
All Atoms:49
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.60569
Area:610.463
Solvation:-5.65589
Coulombic:-56.222
Bond Count [?]
All:27
Single:19
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:357.4
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.83
LogP (Chemaxon):3.52

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Descriptor Annotations

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