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Chemical ID: 7257602
Chemical ID:
7257602
Name [?]:
N-[4-(3-methylphenoxy)phenyl]butanamide
SMILES [?]:
CCCC(=O)Nc1ccc(cc1)Oc2cccc(c2)C
InChi [?]:
InChI=1/C17H19NO2/c1-3-5-17(19)18-14-8-10-15(11-9-14)20-16-7-4-6-13(2)12-16/h4,6-12H,3,5H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,2,16,3,17,15,8,12,9,11,19,18,7,10,14,4,6,5,13/E:(8,9)(10,11)/rA:20nCCCCONCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO2 |
All Atoms: | 39 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.39995 |
Area: | 484.002 |
Solvation: | -2.70009 |
Coulombic: | -28.9837 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 269.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.02 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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