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Chemical ID: 4158111
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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