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Chemical ID: 6322583
Chemical ID:
6322583
Name [?]:
N-(2-ethoxyphenyl)-2-methyl-propanamide
SMILES [?]:
CCOc1ccccc1NC(=O)C(C)C
InChi [?]:
InChI=1/C12H17NO2/c1-4-15-11-8-6-5-7-10(11)13-12(14)9(2)3/h5-9H,4H2,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,14,15,2,7,6,8,5,13,9,4,11,10,12,3/E:(2,3)/rA:15nCCOCCCCCCNCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.47132 |
Area: | 400.71 |
Solvation: | -2.54642 |
Coulombic: | -29.0355 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 207.269 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.16 |
LogP (Chemaxon): | 2.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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