[2-(1-benzofuran-3-yl)-2-methylpropyl]urea

C13H16N2O2 — CID 115168850

IUPAC[2-(1-benzofuran-3-yl)-2-methylpropyl]urea
SMILESCC(C)(CNC(N)=O)c1coc2ccccc12
InChIInChI=1S/C13H16N2O2/c1-13(2,8-15-12(14)16)10-7-17-11-6-4-3-5-9(10)11/h3-7H,8H2,1-2H3,(H3,14,15,16)
InChIKeyNUNIUDCEXXIZCH-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.38
Rot. Bonds3

About [2-(1-benzofuran-3-yl)-2-methylpropyl]urea

[2-(1-benzofuran-3-yl)-2-methylpropyl]urea (PubChem CID 115168850) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is [2-(1-benzofuran-3-yl)-2-methylpropyl]urea.

Molecular Properties

Compound Name[2-(1-benzofuran-3-yl)-2-methylpropyl]urea
PubChem CID115168850
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name[2-(1-benzofuran-3-yl)-2-methylpropyl]urea
SMILESCC(C)(CNC(N)=O)c1coc2ccccc12
InChIInChI=1S/C13H16N2O2/c1-13(2,8-15-12(14)16)10-7-17-11-6-4-3-5-9(10)11/h3-7H,8H2,1-2H3,(H3,14,15,16)
InChIKeyNUNIUDCEXXIZCH-UHFFFAOYSA-N
XLogP2.38
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(1-benzofuran-3-yl)-2-methylpropyl]acetamide
CID 115151866
2-(1-benzofuran-3-yl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263718
1-[1,1-bis(1-benzofuran-3-yl)ethyl]-1-hydroxyurea
CID 57028878
[2-(1H-indol-3-yl)-2-methylpropyl]urea
CID 115168791
[2-methyl-2-(1-methylindol-3-yl)propyl]urea
CID 19756239
2-(1-benzofuran-3-yl)-2-methylpropanoic acid
CID 84734012
N-[2-(1-benzofuran-3-yl)propan-2-yl]-2-cyanoacetamide
CID 116829523
1-[1,1-bis(1-benzofuran-3-yl)propyl]-1-hydroxyurea
CID 88512065
2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide
CID 116848268
1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide
CID 115189846
2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one
CID 116915418
2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide
CID 80700430

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzofuran-3-yl)-2-methylpropyl]urea?
The IUPAC name of [2-(1-benzofuran-3-yl)-2-methylpropyl]urea (CID 115168850) is [2-(1-benzofuran-3-yl)-2-methylpropyl]urea.
What is the SMILES notation for [2-(1-benzofuran-3-yl)-2-methylpropyl]urea?
The canonical SMILES for [2-(1-benzofuran-3-yl)-2-methylpropyl]urea is CC(C)(CNC(N)=O)c1coc2ccccc12.
What is the InChIKey of [2-(1-benzofuran-3-yl)-2-methylpropyl]urea?
The InChIKey is NUNIUDCEXXIZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(2,8-15-12(14)16)10-7-17-11-6-4-3-5-9(10)11/h3-7H,8H2,1-2H3,(H3,14,15,16).
What are the key properties of [2-(1-benzofuran-3-yl)-2-methylpropyl]urea?
[2-(1-benzofuran-3-yl)-2-methylpropyl]urea has a molecular weight of 232.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzofuran-3-yl)-2-methylpropyl]urea is sourced from PubChem (CID 115168850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).