1,1-diethyl-3-(oxolan-2-ylmethyl)urea

C10H20N2O2 — CID 2985186

IUPAC1,1-diethyl-3-(oxolan-2-ylmethyl)urea
SMILESCCN(CC)C(=O)NCC1CCCO1
InChIInChI=1S/C10H20N2O2/c1-3-12(4-2)10(13)11-8-9-6-5-7-14-9/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyZPMUAPGAUCIILL-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.22
Rot. Bonds4

About 1,1-diethyl-3-(oxolan-2-ylmethyl)urea

1,1-diethyl-3-(oxolan-2-ylmethyl)urea (PubChem CID 2985186) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1,1-diethyl-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(oxolan-2-ylmethyl)urea
PubChem CID2985186
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1,1-diethyl-3-(oxolan-2-ylmethyl)urea
SMILESCCN(CC)C(=O)NCC1CCCO1
InChIInChI=1S/C10H20N2O2/c1-3-12(4-2)10(13)11-8-9-6-5-7-14-9/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyZPMUAPGAUCIILL-UHFFFAOYSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.22
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-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1,1-diethyl-3-(oxolan-2-ylmethyl)urea (CID 2985186) is 1,1-diethyl-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1,1-diethyl-3-(oxolan-2-ylmethyl)urea is CCN(CC)C(=O)NCC1CCCO1.
What is the InChIKey of 1,1-diethyl-3-(oxolan-2-ylmethyl)urea?
The InChIKey is ZPMUAPGAUCIILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-12(4-2)10(13)11-8-9-6-5-7-14-9/h9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of 1,1-diethyl-3-(oxolan-2-ylmethyl)urea?
1,1-diethyl-3-(oxolan-2-ylmethyl)urea has a molecular weight of 200.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 2985186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).