ethane;4-ethyl-1-methylpyridin-2-one;2-methylpropoxybenzene

C20H31NO2 — CID 178168043

IUPACethane;4-ethyl-1-methylpyridin-2-one;2-methylpropoxybenzene
SMILESCC.CC(C)COc1ccccc1.CCc1ccn(C)c(=O)c1
InChIInChI=1S/C10H14O.C8H11NO.C2H6/c1-9(2)8-11-10-6-4-3-5-7-10;1-3-7-4-5-9(2)8(10)6-7;1-2/h3-7,9H,8H2,1-2H3;4-6H,3H2,1-2H3;1-2H3
InChIKeyLDRLCUULEHJTKO-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.70
Rot. Bonds4

About ethane;4-ethyl-1-methylpyridin-2-one;2-methylpropoxybenzene

ethane;4-ethyl-1-methylpyridin-2-one;2-methylpropoxybenzene (PubChem CID 178168043) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is ethane;4-ethyl-1-methylpyridin-2-one;2-methylpropoxybenzene.

Molecular Properties

Compound Nameethane;4-ethyl-1-methylpyridin-2-one;2-methylpropoxybenzene
PubChem CID178168043
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Nameethane;4-ethyl-1-methylpyridin-2-one;2-methylpropoxybenzene
SMILESCC.CC(C)COc1ccccc1.CCc1ccn(C)c(=O)c1
InChIInChI=1S/C10H14O.C8H11NO.C2H6/c1-9(2)8-11-10-6-4-3-5-7-10;1-3-7-4-5-9(2)8(10)6-7;1-2/h3-7,9H,8H2,1-2H3;4-6H,3H2,1-2H3;1-2H3
InChIKeyLDRLCUULEHJTKO-UHFFFAOYSA-N
XLogP4.70
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)-3-[3-(2-methylpropoxy)phenyl]propanoic acid
CID 83953697
4-[4-(2-methylpropoxy)phenoxy]-N,N-diphenylaniline
CID 58701260
4-butan-2-yloxy-1-methylpyridin-2-one
CID 163998897
1-(4-ethylphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-phenylsulfanylpyrrole-2,5-dione
CID 110551728
(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349
ethane;1-phenoxypropan-2-ol;propane
CID 90979198
(4Z)-1-(4-ethylphenyl)-4-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108638339
(4Z)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-[3-(2-methylpropoxy)phenyl]-1-propylpyrrolidine-2,3-dione
CID 108636989
ethane;1-phenoxypropan-2-ol
CID 90926921
4-[[[(1R)-1,2-diphenylethyl]amino]methyl]-1-methylpyridin-2-one
CID 94402617
1-(3-bromo-2-phenylpropoxy)-3-ethylbenzene
CID 65016153
N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine
CID 39369134

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-1-methylpyridin-2-one;2-methylpropoxybenzene?
The IUPAC name of ethane;4-ethyl-1-methylpyridin-2-one;2-methylpropoxybenzene (CID 178168043) is ethane;4-ethyl-1-methylpyridin-2-one;2-methylpropoxybenzene.
What is the SMILES notation for ethane;4-ethyl-1-methylpyridin-2-one;2-methylpropoxybenzene?
The canonical SMILES for ethane;4-ethyl-1-methylpyridin-2-one;2-methylpropoxybenzene is CC.CC(C)COc1ccccc1.CCc1ccn(C)c(=O)c1.
What is the InChIKey of ethane;4-ethyl-1-methylpyridin-2-one;2-methylpropoxybenzene?
The InChIKey is LDRLCUULEHJTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C8H11NO.C2H6/c1-9(2)8-11-10-6-4-3-5-7-10;1-3-7-4-5-9(2)8(10)6-7;1-2/h3-7,9H,8H2,1-2H3;4-6H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-ethyl-1-methylpyridin-2-one;2-methylpropoxybenzene?
ethane;4-ethyl-1-methylpyridin-2-one;2-methylpropoxybenzene has a molecular weight of 317.47 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-1-methylpyridin-2-one;2-methylpropoxybenzene is sourced from PubChem (CID 178168043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).