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Chemical ID: 4104986
Chemical ID:
4104986
Name [?]:
N-(4-diethylaminophenyl)-2-(3-methylphenoxy)-acetamide
SMILES [?]:
CCN(CC)c1ccc(cc1)NC(=O)COc2cccc(c2)C
InChi [?]:
InChI=1/C19H24N2O2/c1-4-21(5-2)17-11-9-16(10-12-17)20-19(22)14-23-18-8-6-7-15(3)13-18/h6-13H,4-5,14H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,5,23,2,4,19,20,18,8,10,7,11,22,15,21,9,6,17,13,12,3,14,16/E:(1,2)(4,5)(9,10)(11,12)/rA:23nCCNCCCCCCCCNCOCOCCCCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.42323 |
Area: | 550.922 |
Solvation: | -4.34983 |
Coulombic: | -34.8259 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 312.406 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.17 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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