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Chemical ID: 4433045
Chemical ID:
4433045
Name [?]:
N-[3-(p-tolylcarbamoylmethoxy)phenyl]acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)COc2cccc(c2)NC(=O)C
InChi [?]:
InChI=1/C17H18N2O3/c1-12-6-8-14(9-7-12)19-17(21)11-22-16-5-3-4-15(10-16)18-13(2)20/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,22,15,16,14,3,7,4,6,18,11,2,20,5,17,13,9,19,8,21,10,12/E:(6,7)(8,9)/rA:22nCCCCCCCNCOCOCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.84395 |
Area: | 521.019 |
Solvation: | -5.18152 |
Coulombic: | -46.8737 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 298.336 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.37 |
LogP (Chemaxon): | 2.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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