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Chemical ID: 7038769
Chemical ID:
7038769
Name [?]:
N-[acetamido-(3-methoxyphenyl)-methyl]acetamide
SMILES [?]:
CC(=O)NC(c1cccc(c1)OC)NC(=O)C
InChi [?]:
InChI=1/C12H16N2O3/c1-8(15)13-12(14-9(2)16)10-5-4-6-11(7-10)17-3/h4-7,12H,1-3H3,(H,13,15)(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,17,13,8,7,9,11,2,15,6,10,5,4,14,3,16,12/E:(1,2)(8,9)(13,14)(15,16)/gE:(1,2)/rA:17nCCONCCCCCCCOCNCOC/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s5;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2O3 |
All Atoms: | 33 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.86577 |
Area: | 432.106 |
Solvation: | -4.93687 |
Coulombic: | -45.924 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 236.267 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.08 |
LogP (Chemaxon): | 0.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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