1,1-diethyl-3-(furan-3-yl)urea

C9H14N2O2 — CID 163902289

IUPAC1,1-diethyl-3-(furan-3-yl)urea
SMILESCCN(CC)C(=O)Nc1ccoc1
InChIInChI=1S/C9H14N2O2/c1-3-11(4-2)9(12)10-8-5-6-13-7-8/h5-7H,3-4H2,1-2H3,(H,10,12)
InChIKeyQKWSXKRVIUSIKZ-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.15
Rot. Bonds3

About 1,1-diethyl-3-(furan-3-yl)urea

1,1-diethyl-3-(furan-3-yl)urea (PubChem CID 163902289) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1,1-diethyl-3-(furan-3-yl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(furan-3-yl)urea
PubChem CID163902289
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1,1-diethyl-3-(furan-3-yl)urea
SMILESCCN(CC)C(=O)Nc1ccoc1
InChIInChI=1S/C9H14N2O2/c1-3-11(4-2)9(12)10-8-5-6-13-7-8/h5-7H,3-4H2,1-2H3,(H,10,12)
InChIKeyQKWSXKRVIUSIKZ-UHFFFAOYSA-N
XLogP2.15
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(furan-3-yl)urea?
The IUPAC name of 1,1-diethyl-3-(furan-3-yl)urea (CID 163902289) is 1,1-diethyl-3-(furan-3-yl)urea.
What is the SMILES notation for 1,1-diethyl-3-(furan-3-yl)urea?
The canonical SMILES for 1,1-diethyl-3-(furan-3-yl)urea is CCN(CC)C(=O)Nc1ccoc1.
What is the InChIKey of 1,1-diethyl-3-(furan-3-yl)urea?
The InChIKey is QKWSXKRVIUSIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-11(4-2)9(12)10-8-5-6-13-7-8/h5-7H,3-4H2,1-2H3,(H,10,12).
What are the key properties of 1,1-diethyl-3-(furan-3-yl)urea?
1,1-diethyl-3-(furan-3-yl)urea has a molecular weight of 182.22 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(furan-3-yl)urea is sourced from PubChem (CID 163902289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).