N-ETHYLNONA-2,6-DIENAMIDE
C₁₁H₁₉NO·181.270 g/mol·CID 57351458
IUPAC: N-ethylnona-2,6-dienamide
Also known as: DTXSID20722353, RefChem:202147, DTXCID20673098, 608514-56-3, SCHEMBL4888803 (+1 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
181.270g/mol
Exact Mass
181.146664Da
Monoisotopic Mass
181.146664Da
XLogP
2.4
Polar Surface Area
29.1Ų
Complexity
183
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
1
Rotatable Bonds
6
Heavy Atoms
13
Stereo Centers
0
Bond Stereo
2
Drug-Likeness (Lipinski's Rule of Five)
✓ 181.3 g/mol
MW ≤ 500
✓ 2.4
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 1
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C11H19NO/c1-3-5-6-7-8-9-10-11(13)12-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,12,13)
Isomers8 compounds with formula C₁₁H₁₉NO
benzyl(trimethyl)azanium;methanolate
CID 8504 · 181.3 g/mol
(2R)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
CID 10313386 · 181.3 g/mol
(2E,6Z)-N-ethylnona-2,6-dienamide
CID 11309884 · 181.3 g/mol
5,5-dimethyl-3-(propylamino)cyclohex-2-en-1-one
CID 143371 · 181.3 g/mol
4-(cyclohepten-1-yl)morpholine
CID 306092 · 181.3 g/mol
2-butyl-4,5-diethyl-1,3-oxazole
CID 525778 · 181.3 g/mol
2-butyl-5-methyl-4-propyl-1,3-oxazole
CID 525779 · 181.3 g/mol
2-hexyl-4,5-dimethyl-1,3-oxazole
CID 525781 · 181.3 g/mol