Chemical ID: 4158111

Cc1ccc(c(c1)OCCCC(=O)Nc2cccc(c2)OC)C
Chemical ID:
4158111
Name [?]:
4-(2,5-dimethylphenoxy)-N-(3-methoxyphenyl)-butanamide
SMILES [?]:
Cc1ccc(c(c1)OCCCC(=O)Nc2cccc(c2)OC)C
InChi [?]:
InChI=1/C19H23NO3/c1-14-9-10-15(2)18(12-14)23-11-5-8-19(21)20-16-6-4-7-17(13-16)22-3/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,22,17,10,16,18,11,3,4,9,7,20,2,5,15,19,6,12,14,13,21,8/rA:23nCCCCCCCOCCCCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23NO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.71051
Area:554.317
Solvation:-5.14741
Coulombic:-34.5219
Bond Count [?]
All:24
Single:17
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:313.391
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.77
LogP (Chemaxon):3.99

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Descriptor Annotations

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