2-[ethyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone

C14H20N2O2 — CID 113448768

IUPAC2-[ethyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone
SMILESCCN(CC(=O)C1CCOC1)Cc1ccncc1
InChIInChI=1S/C14H20N2O2/c1-2-16(9-12-3-6-15-7-4-12)10-14(17)13-5-8-18-11-13/h3-4,6-7,13H,2,5,8-11H2,1H3
InChIKeyTUVIWSMEPNPLBR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.51
Rot. Bonds6

About 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone

2-[ethyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone (PubChem CID 113448768) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-[ethyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone
PubChem CID113448768
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[ethyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone
SMILESCCN(CC(=O)C1CCOC1)Cc1ccncc1
InChIInChI=1S/C14H20N2O2/c1-2-16(9-12-3-6-15-7-4-12)10-14(17)13-5-8-18-11-13/h3-4,6-7,13H,2,5,8-11H2,1H3
InChIKeyTUVIWSMEPNPLBR-UHFFFAOYSA-N
XLogP1.51
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone
CID 104750414
3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 103061377
2-(dipropylamino)-1-(oxolan-3-yl)ethanone
CID 104749952
2-[ethyl-[2-oxo-2-(oxolan-3-yl)ethyl]amino]-N-propan-2-ylacetamide
CID 113448780
1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one
CID 107507295
2-[ethyl(pyridin-4-ylmethyl)amino]acetohydrazide
CID 63584522
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxolane-3-carboxamide
CID 42796235
2-(N-ethyl-2-methylanilino)-1-(oxolan-3-yl)ethanone
CID 104749876
propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate
CID 54940295
2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 62052112
2-[2-(diethylamino)ethylsulfanyl]-1-(oxolan-3-yl)ethanone
CID 104752314
2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 62052291

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone (CID 113448768) is 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone is CCN(CC(=O)C1CCOC1)Cc1ccncc1.
What is the InChIKey of 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone?
The InChIKey is TUVIWSMEPNPLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-16(9-12-3-6-15-7-4-12)10-14(17)13-5-8-18-11-13/h3-4,6-7,13H,2,5,8-11H2,1H3.
What are the key properties of 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone?
2-[ethyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 113448768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).