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Chemical ID: 7246909
Chemical ID:
7246909
Name [?]:
N-(2-ethoxyphenyl)-2-(3-isopropyl-5-methyl-phenoxy)-acetamide
SMILES [?]:
CCOc1ccccc1NC(=O)COc2cc(cc(c2)C(C)C)C
InChi [?]:
InChI=1/C20H25NO3/c1-5-23-19-9-7-6-8-18(19)21-20(22)13-24-17-11-15(4)10-16(12-17)14(2)3/h6-12,14H,5,13H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,23,24,2,7,6,8,5,18,16,20,13,21,17,19,15,9,4,11,10,12,3,14/E:(2,3)/rA:24nCCOCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s19;s21;s21;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO3 |
All Atoms: | 49 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.7592 |
Area: | 574.42 |
Solvation: | -4.60129 |
Coulombic: | -37.5774 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 327.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.86 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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