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Chemical ID: 4299453
Chemical ID:
4299453
Name [?]:
2-phenyl-N-[1-(p-tolyl)ethyl]acetamide
SMILES [?]:
Cc1ccc(cc1)C(C)NC(=O)Cc2ccccc2
InChi [?]:
InChI=1/C17H19NO/c1-13-8-10-16(11-9-13)14(2)18-17(19)12-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,9,17,16,18,15,19,3,7,4,6,13,2,8,14,5,11,10,12/E:(4,5)(6,7)(8,9)(10,11)/rA:19cCCCCCCCCCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s8;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.48098 |
Area: | 472.603 |
Solvation: | -2.33409 |
Coulombic: | -23.218 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 253.339 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.91 |
LogP (Chemaxon): | 3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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