1-[2-(1-methoxybutan-2-ylamino)ethyl]pyridin-2-one

C12H20N2O2 — CID 81334295

IUPAC1-[2-(1-methoxybutan-2-ylamino)ethyl]pyridin-2-one
SMILESCCC(COC)NCCn1ccccc1=O
InChIInChI=1S/C12H20N2O2/c1-3-11(10-16-2)13-7-9-14-8-5-4-6-12(14)15/h4-6,8,11,13H,3,7,9-10H2,1-2H3
InChIKeyHIAMZTQBUFGRCP-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.86
Rot. Bonds7

About 1-[2-(1-methoxybutan-2-ylamino)ethyl]pyridin-2-one

1-[2-(1-methoxybutan-2-ylamino)ethyl]pyridin-2-one (PubChem CID 81334295) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[2-(1-methoxybutan-2-ylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(1-methoxybutan-2-ylamino)ethyl]pyridin-2-one
PubChem CID81334295
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[2-(1-methoxybutan-2-ylamino)ethyl]pyridin-2-one
SMILESCCC(COC)NCCn1ccccc1=O
InChIInChI=1S/C12H20N2O2/c1-3-11(10-16-2)13-7-9-14-8-5-4-6-12(14)15/h4-6,8,11,13H,3,7,9-10H2,1-2H3
InChIKeyHIAMZTQBUFGRCP-UHFFFAOYSA-N
XLogP0.86
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(butan-2-ylamino)butyl]pyridin-2-one
CID 115714513
1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one
CID 82897398
1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one
CID 82907582
1-[2-(1-cyclopentylethylamino)ethyl]pyridin-2-one
CID 81334184
3-[2-(2-oxo-1-pyridinyl)ethylamino]butanamide
CID 115676590
1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one
CID 78986308
1-[2-(4-propoxyanilino)ethyl]pyridin-2-one
CID 82897210
N-(1-methoxypropan-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 51174931
(2S)-N-benzyl-1-methoxybutan-2-amine
CID 95366266
1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]pyridin-2-one
CID 82897772
1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one
CID 82897744
1-methoxy-N-[2-(2-methoxyphenyl)ethyl]butan-2-amine
CID 103775921

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxybutan-2-ylamino)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(1-methoxybutan-2-ylamino)ethyl]pyridin-2-one (CID 81334295) is 1-[2-(1-methoxybutan-2-ylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(1-methoxybutan-2-ylamino)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(1-methoxybutan-2-ylamino)ethyl]pyridin-2-one is CCC(COC)NCCn1ccccc1=O.
What is the InChIKey of 1-[2-(1-methoxybutan-2-ylamino)ethyl]pyridin-2-one?
The InChIKey is HIAMZTQBUFGRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-11(10-16-2)13-7-9-14-8-5-4-6-12(14)15/h4-6,8,11,13H,3,7,9-10H2,1-2H3.
What are the key properties of 1-[2-(1-methoxybutan-2-ylamino)ethyl]pyridin-2-one?
1-[2-(1-methoxybutan-2-ylamino)ethyl]pyridin-2-one has a molecular weight of 224.30 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxybutan-2-ylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 81334295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).