1-cyclobutyl-1-[2-(5-ethyl-1-benzofuran-3-yl)ethyl]urea

C17H22N2O2 — CID 174318981

IUPAC1-cyclobutyl-1-[2-(5-ethyl-1-benzofuran-3-yl)ethyl]urea
SMILESCCc1ccc2occ(CCN(C(N)=O)C3CCC3)c2c1
InChIInChI=1S/C17H22N2O2/c1-2-12-6-7-16-15(10-12)13(11-21-16)8-9-19(17(18)20)14-4-3-5-14/h6-7,10-11,14H,2-5,8-9H2,1H3,(H2,18,20)
InChIKeyHXULIWCHFCISAY-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.47
Rot. Bonds5

About 1-cyclobutyl-1-[2-(5-ethyl-1-benzofuran-3-yl)ethyl]urea

1-cyclobutyl-1-[2-(5-ethyl-1-benzofuran-3-yl)ethyl]urea (PubChem CID 174318981) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-cyclobutyl-1-[2-(5-ethyl-1-benzofuran-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-1-[2-(5-ethyl-1-benzofuran-3-yl)ethyl]urea
PubChem CID174318981
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-cyclobutyl-1-[2-(5-ethyl-1-benzofuran-3-yl)ethyl]urea
SMILESCCc1ccc2occ(CCN(C(N)=O)C3CCC3)c2c1
InChIInChI=1S/C17H22N2O2/c1-2-12-6-7-16-15(10-12)13(11-21-16)8-9-19(17(18)20)14-4-3-5-14/h6-7,10-11,14H,2-5,8-9H2,1H3,(H2,18,20)
InChIKeyHXULIWCHFCISAY-UHFFFAOYSA-N
XLogP3.47
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-[2-(5-ethyl-1-benzofuran-3-yl)ethyl]urea?
The IUPAC name of 1-cyclobutyl-1-[2-(5-ethyl-1-benzofuran-3-yl)ethyl]urea (CID 174318981) is 1-cyclobutyl-1-[2-(5-ethyl-1-benzofuran-3-yl)ethyl]urea.
What is the SMILES notation for 1-cyclobutyl-1-[2-(5-ethyl-1-benzofuran-3-yl)ethyl]urea?
The canonical SMILES for 1-cyclobutyl-1-[2-(5-ethyl-1-benzofuran-3-yl)ethyl]urea is CCc1ccc2occ(CCN(C(N)=O)C3CCC3)c2c1.
What is the InChIKey of 1-cyclobutyl-1-[2-(5-ethyl-1-benzofuran-3-yl)ethyl]urea?
The InChIKey is HXULIWCHFCISAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-12-6-7-16-15(10-12)13(11-21-16)8-9-19(17(18)20)14-4-3-5-14/h6-7,10-11,14H,2-5,8-9H2,1H3,(H2,18,20).
What are the key properties of 1-cyclobutyl-1-[2-(5-ethyl-1-benzofuran-3-yl)ethyl]urea?
1-cyclobutyl-1-[2-(5-ethyl-1-benzofuran-3-yl)ethyl]urea has a molecular weight of 286.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-[2-(5-ethyl-1-benzofuran-3-yl)ethyl]urea is sourced from PubChem (CID 174318981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).