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Chemical ID: 5497510
Chemical ID:
5497510
Name [?]:
N-(2-methoxyethyl)-2-(4-phenylphenyl)-acetamide
SMILES [?]:
COCCNC(=O)Cc1ccc(cc1)c2ccccc2
InChi [?]:
InChI=1/C17H19NO2/c1-20-12-11-18-17(19)13-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,10,14,11,13,4,3,8,9,15,12,6,5,7,2/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCOCCNCOCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.34996 |
Area: | 498.373 |
Solvation: | -4.10937 |
Coulombic: | -30.2338 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 269.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.99 |
LogP (Chemaxon): | 2.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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