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Chemical ID: 4736654
Chemical ID:
4736654
Name [?]:
N-(2-isopropylphenyl)acetamide
SMILES [?]:
CC(C)c1ccccc1NC(=O)C
InChi [?]:
InChI=1/C11H15NO/c1-8(2)10-6-4-5-7-11(10)12-9(3)13/h4-8H,1-3H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,13,6,7,5,8,2,11,4,9,10,12/E:(1,2)/rA:13nCCCCCCCCCNCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.09471 |
Area: | 358.083 |
Solvation: | -1.85737 |
Coulombic: | -20.59 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 177.243 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.47 |
LogP (Chemaxon): | 1.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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