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

C19H23NO2 — CID 15322819

IUPAC1-[5-(cyclohexylamino)-2-methyl-4-phenylfuran-3-yl]ethanone
SMILESCC(=O)c1c(C)oc(NC2CCCCC2)c1-c1ccccc1
InChIInChI=1S/C19H23NO2/c1-13(21)17-14(2)22-19(20-16-11-7-4-8-12-16)18(17)15-9-5-3-6-10-15/h3,5-6,9-10,16,20H,4,7-8,11-12H2,1-2H3
InChIKeyBTNLYZNVQIGSCU-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.20
Rot. Bonds4

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

1-[5-(cyclohexylamino)-2-methyl-4-phenylfuran-3-yl]ethanone (PubChem CID 15322819) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[5-(cyclohexylamino)-2-methyl-4-phenylfuran-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(cyclohexylamino)-2-methyl-4-phenylfuran-3-yl]ethanone
PubChem CID15322819
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name1-[5-(cyclohexylamino)-2-methyl-4-phenylfuran-3-yl]ethanone
SMILESCC(=O)c1c(C)oc(NC2CCCCC2)c1-c1ccccc1
InChIInChI=1S/C19H23NO2/c1-13(21)17-14(2)22-19(20-16-11-7-4-8-12-16)18(17)15-9-5-3-6-10-15/h3,5-6,9-10,16,20H,4,7-8,11-12H2,1-2H3
InChIKeyBTNLYZNVQIGSCU-UHFFFAOYSA-N
XLogP5.20
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclohexylamino)-2-methyl-4-phenylfuran-3-yl]ethanone?
The IUPAC name of 1-[5-(cyclohexylamino)-2-methyl-4-phenylfuran-3-yl]ethanone (CID 15322819) is 1-[5-(cyclohexylamino)-2-methyl-4-phenylfuran-3-yl]ethanone.
What is the SMILES notation for 1-[5-(cyclohexylamino)-2-methyl-4-phenylfuran-3-yl]ethanone?
The canonical SMILES for 1-[5-(cyclohexylamino)-2-methyl-4-phenylfuran-3-yl]ethanone is CC(=O)c1c(C)oc(NC2CCCCC2)c1-c1ccccc1.
What is the InChIKey of 1-[5-(cyclohexylamino)-2-methyl-4-phenylfuran-3-yl]ethanone?
The InChIKey is BTNLYZNVQIGSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13(21)17-14(2)22-19(20-16-11-7-4-8-12-16)18(17)15-9-5-3-6-10-15/h3,5-6,9-10,16,20H,4,7-8,11-12H2,1-2H3.
What are the key properties of 1-[5-(cyclohexylamino)-2-methyl-4-phenylfuran-3-yl]ethanone?
1-[5-(cyclohexylamino)-2-methyl-4-phenylfuran-3-yl]ethanone has a molecular weight of 297.40 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclohexylamino)-2-methyl-4-phenylfuran-3-yl]ethanone is sourced from PubChem (CID 15322819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).