1-[(4-tert-butylfuran-3-yl)amino]propan-2-one

C11H17NO2 — CID 58759552

IUPAC1-[(4-tert-butylfuran-3-yl)amino]propan-2-one
SMILESCC(=O)CNc1cocc1C(C)(C)C
InChIInChI=1S/C11H17NO2/c1-8(13)5-12-10-7-14-6-9(10)11(2,3)4/h6-7,12H,5H2,1-4H3
InChIKeyATJYKUUQJLBEDI-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.58
Rot. Bonds3

About 1-[(4-tert-butylfuran-3-yl)amino]propan-2-one

1-[(4-tert-butylfuran-3-yl)amino]propan-2-one (PubChem CID 58759552) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-[(4-tert-butylfuran-3-yl)amino]propan-2-one.

Molecular Properties

Compound Name1-[(4-tert-butylfuran-3-yl)amino]propan-2-one
PubChem CID58759552
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-[(4-tert-butylfuran-3-yl)amino]propan-2-one
SMILESCC(=O)CNc1cocc1C(C)(C)C
InChIInChI=1S/C11H17NO2/c1-8(13)5-12-10-7-14-6-9(10)11(2,3)4/h6-7,12H,5H2,1-4H3
InChIKeyATJYKUUQJLBEDI-UHFFFAOYSA-N
XLogP2.58
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylfuran-3-yl)amino]propan-2-one?
The IUPAC name of 1-[(4-tert-butylfuran-3-yl)amino]propan-2-one (CID 58759552) is 1-[(4-tert-butylfuran-3-yl)amino]propan-2-one.
What is the SMILES notation for 1-[(4-tert-butylfuran-3-yl)amino]propan-2-one?
The canonical SMILES for 1-[(4-tert-butylfuran-3-yl)amino]propan-2-one is CC(=O)CNc1cocc1C(C)(C)C.
What is the InChIKey of 1-[(4-tert-butylfuran-3-yl)amino]propan-2-one?
The InChIKey is ATJYKUUQJLBEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(13)5-12-10-7-14-6-9(10)11(2,3)4/h6-7,12H,5H2,1-4H3.
What are the key properties of 1-[(4-tert-butylfuran-3-yl)amino]propan-2-one?
1-[(4-tert-butylfuran-3-yl)amino]propan-2-one has a molecular weight of 195.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylfuran-3-yl)amino]propan-2-one is sourced from PubChem (CID 58759552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).