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Chemical ID: 4905602
Chemical ID:
4905602
Name [?]:
2-diethylamino-N-(o-tolyl)acetamide
SMILES [?]:
CCN(CC)CC(=O)Nc1ccccc1C
InChi [?]:
InChI=1/C13H20N2O/c1-4-15(5-2)10-13(16)14-12-9-7-6-8-11(12)3/h6-9H,4-5,10H2,1-3H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,5,16,2,4,13,12,14,11,6,15,10,7,9,3,8/E:(1,2)(4,5)/rA:16nCCNCCCCONCCCCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.06647 |
Area: | 423.573 |
Solvation: | -2.52285 |
Coulombic: | -25.9727 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 220.311 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.87 |
LogP (Chemaxon): | 1.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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