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Chemical ID: 4344532
Chemical ID:
4344532
Name [?]:
N-(2-methoxyethyl)-2-(2-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccccc1OCC(=O)NCCOC
InChi [?]:
InChI=1/C12H17NO3/c1-10-5-3-4-6-11(10)16-9-12(14)13-7-8-15-2/h3-6H,7-9H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,16,4,5,3,6,13,14,9,2,7,10,12,11,15,8/rA:16nCCCCCCCOCCONCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.68307 |
Area: | 433.176 |
Solvation: | -5.14632 |
Coulombic: | -36.2758 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 223.268 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.15 |
LogP (Chemaxon): | 1.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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