1-ethyl-3-[[5-(furan-2-yl)furan-2-yl]methyl]urea

C12H14N2O3 — CID 122244089

IUPAC1-ethyl-3-[[5-(furan-2-yl)furan-2-yl]methyl]urea
SMILESCCNC(=O)NCc1ccc(-c2ccco2)o1
InChIInChI=1S/C12H14N2O3/c1-2-13-12(15)14-8-9-5-6-11(17-9)10-4-3-7-16-10/h3-7H,2,8H2,1H3,(H2,13,14,15)
InChIKeyXZCRZCPRQWCWRT-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.36
Rot. Bonds4

About 1-ethyl-3-[[5-(furan-2-yl)furan-2-yl]methyl]urea

1-ethyl-3-[[5-(furan-2-yl)furan-2-yl]methyl]urea (PubChem CID 122244089) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-ethyl-3-[[5-(furan-2-yl)furan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[[5-(furan-2-yl)furan-2-yl]methyl]urea
PubChem CID122244089
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-ethyl-3-[[5-(furan-2-yl)furan-2-yl]methyl]urea
SMILESCCNC(=O)NCc1ccc(-c2ccco2)o1
InChIInChI=1S/C12H14N2O3/c1-2-13-12(15)14-8-9-5-6-11(17-9)10-4-3-7-16-10/h3-7H,2,8H2,1H3,(H2,13,14,15)
InChIKeyXZCRZCPRQWCWRT-UHFFFAOYSA-N
XLogP2.36
TPSA67.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[5-(furan-2-yl)furan-2-yl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate
CID 122161310
2-chloro-N-[[5-(furan-2-yl)furan-2-yl]methyl]benzamide
CID 119101854
2-cyclopropyl-N-[[5-(furan-2-yl)furan-2-yl]methyl]acetamide
CID 122160322
N-[[5-(furan-2-yl)furan-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 121019189
N-[[5-(furan-2-yl)furan-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 119101900
methyl 3-[[5-(furan-2-yl)furan-2-yl]methylsulfamoyl]thiophene-2-carboxylate
CID 119101887
1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
CID 47172133
N-(ethylcarbamoyl)furan-2-carboxamide
CID 131178690
1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631
1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
CID 122264543
2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65217978
N-ethyl-2-(furan-2-yl)acetamide
CID 110484557

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[5-(furan-2-yl)furan-2-yl]methyl]urea?
The IUPAC name of 1-ethyl-3-[[5-(furan-2-yl)furan-2-yl]methyl]urea (CID 122244089) is 1-ethyl-3-[[5-(furan-2-yl)furan-2-yl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-[[5-(furan-2-yl)furan-2-yl]methyl]urea?
The canonical SMILES for 1-ethyl-3-[[5-(furan-2-yl)furan-2-yl]methyl]urea is CCNC(=O)NCc1ccc(-c2ccco2)o1.
What is the InChIKey of 1-ethyl-3-[[5-(furan-2-yl)furan-2-yl]methyl]urea?
The InChIKey is XZCRZCPRQWCWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-2-13-12(15)14-8-9-5-6-11(17-9)10-4-3-7-16-10/h3-7H,2,8H2,1H3,(H2,13,14,15).
What are the key properties of 1-ethyl-3-[[5-(furan-2-yl)furan-2-yl]methyl]urea?
1-ethyl-3-[[5-(furan-2-yl)furan-2-yl]methyl]urea has a molecular weight of 234.25 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[5-(furan-2-yl)furan-2-yl]methyl]urea is sourced from PubChem (CID 122244089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).