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Chemical ID: 4267512
Chemical ID:
4267512
Name [?]:
N-(4-aminophenyl)-2-(2-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccccc1OCC(=O)Nc2ccc(cc2)N
InChi [?]:
InChI=1/C15H16N2O2/c1-11-4-2-3-5-14(11)19-10-15(18)17-13-8-6-12(16)7-9-13/h2-9H,10,16H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,15,17,14,18,9,2,16,13,7,10,19,12,11,8/E:(6,7)(8,9)/rA:19nCCCCCCCOCCONCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.33806 |
Area: | 460.102 |
Solvation: | -4.16448 |
Coulombic: | -44.7421 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 256.3 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.66 |
LogP (Chemaxon): | 2.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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