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Chemical ID: 6346733
Chemical ID:
6346733
Name [?]:
N-(3-ethylphenyl)-2-methyl-propanamide
SMILES [?]:
CCc1cccc(c1)NC(=O)C(C)C
InChi [?]:
InChI=1/C12H17NO/c1-4-10-6-5-7-11(8-10)13-12(14)9(2)3/h5-9H,4H2,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,13,14,2,5,4,6,8,12,3,7,10,9,11/E:(2,3)/rA:14nCCCCCCCCNCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.9471 |
Area: | 385.924 |
Solvation: | -1.70101 |
Coulombic: | -21.4882 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 191.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.72 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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