1-(1-methoxy-2-methylpropan-2-yl)-3-(oxolan-3-yl)urea

C10H20N2O3 — CID 115760753

IUPAC1-(1-methoxy-2-methylpropan-2-yl)-3-(oxolan-3-yl)urea
SMILESCOCC(C)(C)NC(=O)NC1CCOC1
InChIInChI=1S/C10H20N2O3/c1-10(2,7-14-3)12-9(13)11-8-4-5-15-6-8/h8H,4-7H2,1-3H3,(H2,11,12,13)
InChIKeyOOXHIXCZFKBMLW-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.50
Rot. Bonds4

About 1-(1-methoxy-2-methylpropan-2-yl)-3-(oxolan-3-yl)urea

1-(1-methoxy-2-methylpropan-2-yl)-3-(oxolan-3-yl)urea (PubChem CID 115760753) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(1-methoxy-2-methylpropan-2-yl)-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-(1-methoxy-2-methylpropan-2-yl)-3-(oxolan-3-yl)urea
PubChem CID115760753
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name1-(1-methoxy-2-methylpropan-2-yl)-3-(oxolan-3-yl)urea
SMILESCOCC(C)(C)NC(=O)NC1CCOC1
InChIInChI=1S/C10H20N2O3/c1-10(2,7-14-3)12-9(13)11-8-4-5-15-6-8/h8H,4-7H2,1-3H3,(H2,11,12,13)
InChIKeyOOXHIXCZFKBMLW-UHFFFAOYSA-N
XLogP0.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-2-methylpropan-2-yl)-3-(oxolan-3-yl)urea?
The IUPAC name of 1-(1-methoxy-2-methylpropan-2-yl)-3-(oxolan-3-yl)urea (CID 115760753) is 1-(1-methoxy-2-methylpropan-2-yl)-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-(1-methoxy-2-methylpropan-2-yl)-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-(1-methoxy-2-methylpropan-2-yl)-3-(oxolan-3-yl)urea is COCC(C)(C)NC(=O)NC1CCOC1.
What is the InChIKey of 1-(1-methoxy-2-methylpropan-2-yl)-3-(oxolan-3-yl)urea?
The InChIKey is OOXHIXCZFKBMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,7-14-3)12-9(13)11-8-4-5-15-6-8/h8H,4-7H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-(1-methoxy-2-methylpropan-2-yl)-3-(oxolan-3-yl)urea?
1-(1-methoxy-2-methylpropan-2-yl)-3-(oxolan-3-yl)urea has a molecular weight of 216.28 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-2-methylpropan-2-yl)-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115760753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).