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Chemical ID: 4146556
Chemical ID:
4146556
Name [?]:
N-(4-dimethylaminophenyl)-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)Nc2ccc(cc2)N(C)C
InChi [?]:
InChI=1/C17H20N2O2/c1-13-5-4-6-16(11-13)21-12-17(20)18-14-7-9-15(10-8-14)19(2)3/h4-11H,12H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,20,21,4,3,5,14,18,15,17,7,9,2,13,16,6,10,12,19,11,8/E:(2,3)(7,8)(9,10)/rA:21nCCCCCCCOCCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.16248 |
Area: | 505.435 |
Solvation: | -4.4734 |
Coulombic: | -34.4575 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 284.353 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.32 |
LogP (Chemaxon): | 3.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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