1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone

C16H19NO2 — CID 115576850

IUPAC1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NC(C)CCc2ccco2)cc1
InChIInChI=1S/C16H19NO2/c1-12(5-10-16-4-3-11-19-16)17-15-8-6-14(7-9-15)13(2)18/h3-4,6-9,11-12,17H,5,10H2,1-2H3
InChIKeyKGCQVOXKGYATPM-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.92
Rot. Bonds6

About 1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone

1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone (PubChem CID 115576850) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone
PubChem CID115576850
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NC(C)CCc2ccco2)cc1
InChIInChI=1S/C16H19NO2/c1-12(5-10-16-4-3-11-19-16)17-15-8-6-14(7-9-15)13(2)18/h3-4,6-9,11-12,17H,5,10H2,1-2H3
InChIKeyKGCQVOXKGYATPM-UHFFFAOYSA-N
XLogP3.92
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline
CID 43478896
4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide
CID 43478817
3-[4-(furan-2-yl)butan-2-ylamino]-N-methylbenzamide
CID 43478876
N-[3-[4-(furan-2-yl)butan-2-ylamino]-4-methylphenyl]acetamide
CID 43739655
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
[3-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 43715225
5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol
CID 43743871
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
(Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169449
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 102851452
N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
CID 103956281

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone (CID 115576850) is 1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone is CC(=O)c1ccc(NC(C)CCc2ccco2)cc1.
What is the InChIKey of 1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone?
The InChIKey is KGCQVOXKGYATPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12(5-10-16-4-3-11-19-16)17-15-8-6-14(7-9-15)13(2)18/h3-4,6-9,11-12,17H,5,10H2,1-2H3.
What are the key properties of 1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone?
1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone has a molecular weight of 257.33 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone is sourced from PubChem (CID 115576850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).