1-(furan-2-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone

C11H17NO3 — CID 62053466

IUPAC1-(furan-2-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
SMILESCCCN(CCO)CC(=O)c1ccco1
InChIInChI=1S/C11H17NO3/c1-2-5-12(6-7-13)9-10(14)11-4-3-8-15-11/h3-4,8,13H,2,5-7,9H2,1H3
InChIKeyQIGNXMUBCHLXMI-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.17
Rot. Bonds7

About 1-(furan-2-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone

1-(furan-2-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone (PubChem CID 62053466) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
PubChem CID62053466
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(furan-2-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
SMILESCCCN(CCO)CC(=O)c1ccco1
InChIInChI=1S/C11H17NO3/c1-2-5-12(6-7-13)9-10(14)11-4-3-8-15-11/h3-4,8,13H,2,5-7,9H2,1H3
InChIKeyQIGNXMUBCHLXMI-UHFFFAOYSA-N
XLogP1.17
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62030551
N-(furan-2-ylmethylcarbamoyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60691736
N-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide
CID 39237533
3-[[2-(furan-2-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile
CID 62052823
N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 15134402
2-[butyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 60689402
ethane;1-(furan-2-yl)butane-1,3-dione
CID 145463409
1-(furan-2-yl)undecan-1-one
CID 15721327
2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone
CID 62050940
1-(furan-2-yl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanone
CID 55004845
2-[2-hydroxyethyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 62051328
1-(furan-2-yl)-2-(propylamino)ethanone
CID 14188381

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone?
The IUPAC name of 1-(furan-2-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone (CID 62053466) is 1-(furan-2-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone is CCCN(CCO)CC(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone?
The InChIKey is QIGNXMUBCHLXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-5-12(6-7-13)9-10(14)11-4-3-8-15-11/h3-4,8,13H,2,5-7,9H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone?
1-(furan-2-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone has a molecular weight of 211.26 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone is sourced from PubChem (CID 62053466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).