Chemical ID: 6850577

CCCc1ccc(cc1)OCCCC(=O)Nc2cccc(c2)C(=O)OC
Chemical ID:
6850577
Name [?]:
methyl 3-[4-(4-propylphenoxy)butanoylamino]benzoate
SMILES [?]:
CCCc1ccc(cc1)OCCCC(=O)Nc2cccc(c2)C(=O)OC
InChi [?]:
InChI=1/C21H25NO4/c1-3-6-16-10-12-19(13-11-16)26-14-5-9-20(23)22-18-8-4-7-17(15-18)21(24)25-2/h4,7-8,10-13,15H,3,5-6,9,14H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,2,19,12,3,20,18,13,5,9,6,8,11,22,4,21,17,7,14,23,16,15,24,25,10/E:(10,11)(12,13)/rA:26nCCCCCCCCCOCCCCONCCCCCCCOOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25NO4
All Atoms:51
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.9762
Area:626.548
Solvation:-4.68749
Coulombic:-47.8907
Bond Count [?]
All:27
Single:19
Double:8
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:355.428
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.6
LogP (Chemaxon):4.12

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Descriptor Annotations

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