Chemical ID: 6970155

Cc1ccc(c(c1)OCC(=O)NC(C)c2ccccc2)C(C)C
Chemical ID:
6970155
Name [?]:
2-(2-isopropyl-5-methyl-phenoxy)-N-(1-phenylethyl)acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)NC(C)c2ccccc2)C(C)C
InChi [?]:
InChI=1/C20H25NO2/c1-14(2)18-11-10-15(3)12-19(18)23-13-20(22)21-16(4)17-8-6-5-7-9-17/h5-12,14,16H,13H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:22,23,1,14,18,17,19,16,20,3,4,7,9,21,2,13,15,5,6,10,12,11,8/E:(1,2)(6,7)(8,9)/rA:23cCCCCCCCOCCONCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;s13;s15;d16;s17;d18;d15s19;s5;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25NO2
All Atoms:48
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.0901
Area:555.892
Solvation:-3.80723
Coulombic:-31.3969
Bond Count [?]
All:24
Single:17
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:311.418
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.98
LogP (Chemaxon):4.57

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Descriptor Annotations

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