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Chemical ID: 6988837
Chemical ID:
6988837
Name [?]:
N-benzyl-2-(2-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccccc1OCC(=O)NCc2ccccc2
InChi [?]:
InChI=1/C18H21NO2/c1-14(2)16-10-6-7-11-17(16)21-13-18(20)19-12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,19,18,20,6,7,17,21,5,8,15,11,2,16,4,9,12,14,13,10/E:(1,2)(4,5)(8,9)/rA:21nCCCCCCCCCOCCONCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO2 |
All Atoms: | 42 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.20332 |
Area: | 518.145 |
Solvation: | -3.7503 |
Coulombic: | -31.4961 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 283.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.01 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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