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Chemical ID: 4150727
Chemical ID:
4150727
Name [?]:
2-(4-methoxyphenoxy)-N-(p-tolyl)propanamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)C(C)Oc2ccc(cc2)OC
InChi [?]:
InChI=1/C17H19NO3/c1-12-4-6-14(7-5-12)18-17(19)13(2)21-16-10-8-15(20-3)9-11-16/h4-11,13H,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,12,21,3,7,4,6,16,18,15,19,2,11,5,17,14,9,8,10,20,13/E:(4,5)(6,7)(8,9)(10,11)/rA:21cCCCCCCCNCOCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.6356 |
Area: | 500.689 |
Solvation: | -4.88161 |
Coulombic: | -36.3649 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 285.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.55 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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