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Chemical ID: 4345379
Chemical ID:
4345379
Name [?]:
N-(3-methoxypropyl)-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)NCCCOC
InChi [?]:
InChI=1/C13H19NO3/c1-11-5-3-6-12(9-11)17-10-13(15)14-7-4-8-16-2/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,17,4,14,3,5,13,15,7,9,2,6,10,12,11,16,8/rA:17nCCCCCCCOCCONCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.34983 |
Area: | 463.789 |
Solvation: | -5.2449 |
Coulombic: | -36.2123 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 237.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.71 |
LogP (Chemaxon): | 1.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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