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Chemical ID: 4422173
Chemical ID:
4422173
Name [?]:
N-(2,6-diethylphenyl)propanamide
SMILES [?]:
CCc1cccc(c1NC(=O)CC)CC
InChi [?]:
InChI=1/C13H19NO/c1-4-10-8-7-9-11(5-2)13(10)14-12(15)6-3/h7-9H,4-6H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,15,13,2,14,12,5,4,6,3,7,10,8,9,11/E:(1,2)(4,5)(8,9)(10,11)/rA:15nCCCCCCCCNCOCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s7;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.0823 |
Area: | 398.15 |
Solvation: | -1.87145 |
Coulombic: | -20.9607 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 205.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.91 |
LogP (Chemaxon): | 2.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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