1-[5-(tert-butylamino)-2-methyl-4-phenylfuran-3-yl]ethanone

C17H21NO2 — CID 15322818

IUPAC1-[5-(tert-butylamino)-2-methyl-4-phenylfuran-3-yl]ethanone
SMILESCC(=O)c1c(C)oc(NC(C)(C)C)c1-c1ccccc1
InChIInChI=1S/C17H21NO2/c1-11(19)14-12(2)20-16(18-17(3,4)5)15(14)13-9-7-6-8-10-13/h6-10,18H,1-5H3
InChIKeyZMAGVCIUDHSFLN-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.67
Rot. Bonds3

About 1-[5-(tert-butylamino)-2-methyl-4-phenylfuran-3-yl]ethanone

1-[5-(tert-butylamino)-2-methyl-4-phenylfuran-3-yl]ethanone (PubChem CID 15322818) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[5-(tert-butylamino)-2-methyl-4-phenylfuran-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(tert-butylamino)-2-methyl-4-phenylfuran-3-yl]ethanone
PubChem CID15322818
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[5-(tert-butylamino)-2-methyl-4-phenylfuran-3-yl]ethanone
SMILESCC(=O)c1c(C)oc(NC(C)(C)C)c1-c1ccccc1
InChIInChI=1S/C17H21NO2/c1-11(19)14-12(2)20-16(18-17(3,4)5)15(14)13-9-7-6-8-10-13/h6-10,18H,1-5H3
InChIKeyZMAGVCIUDHSFLN-UHFFFAOYSA-N
XLogP4.67
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(tert-butylamino)-2-methyl-4-phenylfuran-3-yl]ethanone?
The IUPAC name of 1-[5-(tert-butylamino)-2-methyl-4-phenylfuran-3-yl]ethanone (CID 15322818) is 1-[5-(tert-butylamino)-2-methyl-4-phenylfuran-3-yl]ethanone.
What is the SMILES notation for 1-[5-(tert-butylamino)-2-methyl-4-phenylfuran-3-yl]ethanone?
The canonical SMILES for 1-[5-(tert-butylamino)-2-methyl-4-phenylfuran-3-yl]ethanone is CC(=O)c1c(C)oc(NC(C)(C)C)c1-c1ccccc1.
What is the InChIKey of 1-[5-(tert-butylamino)-2-methyl-4-phenylfuran-3-yl]ethanone?
The InChIKey is ZMAGVCIUDHSFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11(19)14-12(2)20-16(18-17(3,4)5)15(14)13-9-7-6-8-10-13/h6-10,18H,1-5H3.
What are the key properties of 1-[5-(tert-butylamino)-2-methyl-4-phenylfuran-3-yl]ethanone?
1-[5-(tert-butylamino)-2-methyl-4-phenylfuran-3-yl]ethanone has a molecular weight of 271.36 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(tert-butylamino)-2-methyl-4-phenylfuran-3-yl]ethanone is sourced from PubChem (CID 15322818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).