1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone

C11H17NO3 — CID 63008571

IUPAC1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
SMILESCOCCCN(C)CC(=O)c1ccco1
InChIInChI=1S/C11H17NO3/c1-12(6-4-7-14-2)9-10(13)11-5-3-8-15-11/h3,5,8H,4,6-7,9H2,1-2H3
InChIKeyLDVJOFVTGGQDBE-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.43
Rot. Bonds7

About 1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone

1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone (PubChem CID 63008571) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
PubChem CID63008571
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
SMILESCOCCCN(C)CC(=O)c1ccco1
InChIInChI=1S/C11H17NO3/c1-12(6-4-7-14-2)9-10(13)11-5-3-8-15-11/h3,5,8H,4,6-7,9H2,1-2H3
InChIKeyLDVJOFVTGGQDBE-UHFFFAOYSA-N
XLogP1.43
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-yl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanone
CID 55004845
1-(4-ethylphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008573
1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008925
1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60892744
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533
1-(4-ethoxyphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63007660
1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008744
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)furan-2-carboxamide
CID 3395331
N-benzyl-2-[(2-chloroacetyl)-(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4518262
2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62030551
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide
CID 5238006
N-[2-[2-aminoethyl(methyl)amino]acetyl]furan-2-carboxamide
CID 62687549

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone?
The IUPAC name of 1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone (CID 63008571) is 1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone is COCCCN(C)CC(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone?
The InChIKey is LDVJOFVTGGQDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-12(6-4-7-14-2)9-10(13)11-5-3-8-15-11/h3,5,8H,4,6-7,9H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone?
1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone has a molecular weight of 211.26 g/mol, XLogP of 1.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone is sourced from PubChem (CID 63008571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).