3-butyl-6-(cyclohexylamino)-3H-2-benzofuran-1-one

C18H25NO2 — CID 23439119

IUPAC3-butyl-6-(cyclohexylamino)-3H-2-benzofuran-1-one
SMILESCCCCC1OC(=O)c2cc(NC3CCCCC3)ccc21
InChIInChI=1S/C18H25NO2/c1-2-3-9-17-15-11-10-14(12-16(15)18(20)21-17)19-13-7-5-4-6-8-13/h10-13,17,19H,2-9H2,1H3
InChIKeyYZAZUDQLKAEAAT-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.83
Rot. Bonds5

About 3-butyl-6-(cyclohexylamino)-3H-2-benzofuran-1-one

3-butyl-6-(cyclohexylamino)-3H-2-benzofuran-1-one (PubChem CID 23439119) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-butyl-6-(cyclohexylamino)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-butyl-6-(cyclohexylamino)-3H-2-benzofuran-1-one
PubChem CID23439119
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name3-butyl-6-(cyclohexylamino)-3H-2-benzofuran-1-one
SMILESCCCCC1OC(=O)c2cc(NC3CCCCC3)ccc21
InChIInChI=1S/C18H25NO2/c1-2-3-9-17-15-11-10-14(12-16(15)18(20)21-17)19-13-7-5-4-6-8-13/h10-13,17,19H,2-9H2,1H3
InChIKeyYZAZUDQLKAEAAT-UHFFFAOYSA-N
XLogP4.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-butyl-6-(cyclohexylamino)-3H-2-benzofuran-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-(cyclohexylamino)-3H-2-benzofuran-1-one?
The IUPAC name of 3-butyl-6-(cyclohexylamino)-3H-2-benzofuran-1-one (CID 23439119) is 3-butyl-6-(cyclohexylamino)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-butyl-6-(cyclohexylamino)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-butyl-6-(cyclohexylamino)-3H-2-benzofuran-1-one is CCCCC1OC(=O)c2cc(NC3CCCCC3)ccc21.
What is the InChIKey of 3-butyl-6-(cyclohexylamino)-3H-2-benzofuran-1-one?
The InChIKey is YZAZUDQLKAEAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-3-9-17-15-11-10-14(12-16(15)18(20)21-17)19-13-7-5-4-6-8-13/h10-13,17,19H,2-9H2,1H3.
What are the key properties of 3-butyl-6-(cyclohexylamino)-3H-2-benzofuran-1-one?
3-butyl-6-(cyclohexylamino)-3H-2-benzofuran-1-one has a molecular weight of 287.40 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-(cyclohexylamino)-3H-2-benzofuran-1-one is sourced from PubChem (CID 23439119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).