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Chemical ID: 4152295
Chemical ID:
4152295
Name [?]:
2-(4-isopropyl-3-methyl-phenoxy)-N-(1-phenylethyl)acetamide
SMILES [?]:
Cc1cc(ccc1C(C)C)OCC(=O)NC(C)c2ccccc2
InChi [?]:
InChI=1/C20H25NO2/c1-14(2)19-11-10-18(12-15(19)3)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:9,10,1,17,21,20,22,19,23,5,6,3,12,8,2,16,18,4,7,13,15,14,11/E:(1,2)(6,7)(8,9)/rA:23cCCCCCCCCCCOCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s8;s4;s11;s12;d13;s13;s15;s16;s16;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0436 |
Area: | 557.042 |
Solvation: | -3.88248 |
Coulombic: | -31.1648 |
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: | 5.19 |
LogP (Chemaxon): | 4.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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