1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea

C12H14N2O2 — CID 115168716

IUPAC1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea
SMILESCN(CCc1coc2ccccc12)C(N)=O
InChIInChI=1S/C12H14N2O2/c1-14(12(13)15)7-6-9-8-16-11-5-3-2-4-10(9)11/h2-5,8H,6-7H2,1H3,(H2,13,15)
InChIKeyWMUCWRFALKILSG-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.99
Rot. Bonds3

About 1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea

1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea (PubChem CID 115168716) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea
PubChem CID115168716
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea
SMILESCN(CCc1coc2ccccc12)C(N)=O
InChIInChI=1S/C12H14N2O2/c1-14(12(13)15)7-6-9-8-16-11-5-3-2-4-10(9)11/h2-5,8H,6-7H2,1H3,(H2,13,15)
InChIKeyWMUCWRFALKILSG-UHFFFAOYSA-N
XLogP1.99
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide
CID 115151779
N-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide
CID 115166767
2-[2-(1-benzofuran-3-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128171
5-(1-benzofuran-3-yl)-N-methylpentanehydrazide
CID 116845280
1-methyl-1-[2-(2-methylphenyl)ethyl]urea
CID 115168706
2-amino-3-[2-(1-benzofuran-3-yl)ethyl-methylamino]propan-1-ol
CID 115120994
N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115139234
2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide
CID 110851126
2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115180017
2-(1-benzofuran-3-yl)-N-methyl-N-phenylacetamide
CID 110856943
4-(1-benzofuran-3-yl)butanehydrazide
CID 116843663
2-amino-3-(1-benzofuran-3-yl)-N-methylpropanehydrazide
CID 116849154

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea?
The IUPAC name of 1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea (CID 115168716) is 1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea.
What is the SMILES notation for 1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea?
The canonical SMILES for 1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea is CN(CCc1coc2ccccc12)C(N)=O.
What is the InChIKey of 1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea?
The InChIKey is WMUCWRFALKILSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-14(12(13)15)7-6-9-8-16-11-5-3-2-4-10(9)11/h2-5,8H,6-7H2,1H3,(H2,13,15).
What are the key properties of 1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea?
1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea has a molecular weight of 218.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea is sourced from PubChem (CID 115168716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).