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Chemical ID: 4212669
Chemical ID:
4212669
Name [?]:
2-(3,4-dimethylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
SMILES [?]:
Cc1ccc(cc1C)OCC(=O)NCc2ccccc2OC
InChi [?]:
InChI=1/C18H21NO3/c1-13-8-9-16(10-14(13)2)22-12-18(20)19-11-15-6-4-5-7-17(15)21-3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,22,17,18,16,19,3,4,6,14,10,2,7,15,5,20,11,13,12,21,9/rA:22nCCCCCCCCOCCONCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.04951 |
Area: | 530.701 |
Solvation: | -5.21801 |
Coulombic: | -36.7382 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 299.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.61 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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