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Chemical ID: 3998437
Chemical ID:
3998437
Name [?]:
N-(2-ethylphenyl)-2-methylamino-acetamide
SMILES [?]:
CCc1ccccc1NC(=O)CNC
InChi [?]:
InChI=1/C11H16N2O/c1-3-9-6-4-5-7-10(9)13-11(14)8-12-2/h4-7,12H,3,8H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,14,2,5,6,4,7,12,3,8,10,13,9,11/rA:14nCCCCCCCCNCOCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.06113 |
Area: | 382.615 |
Solvation: | -2.50425 |
Coulombic: | -29.5853 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 192.258 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.25 |
LogP (Chemaxon): | 1.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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