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Chemical ID: 7257978
Chemical ID:
7257978
Name [?]:
2-(3-methylphenoxy)-N-(2-propoxyphenyl)-acetamide
SMILES [?]:
CCCOc1ccccc1NC(=O)COc2cccc(c2)C
InChi [?]:
InChI=1/C18H21NO3/c1-3-11-21-17-10-5-4-9-16(17)19-18(20)13-22-15-8-6-7-14(2)12-15/h4-10,12H,3,11,13H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,2,8,7,18,19,17,9,6,3,21,14,20,16,10,5,12,11,13,4,15/rA:22nCCCOCCCCCCNCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO3 |
All Atoms: | 43 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.73987 |
Area: | 533.89 |
Solvation: | -4.60739 |
Coulombic: | -37.5842 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 299.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.81 |
LogP (Chemaxon): | 3.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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