1-(3-methylpentan-3-yl)-3-(oxolan-3-yl)urea

C11H22N2O2 — CID 103841144

IUPAC1-(3-methylpentan-3-yl)-3-(oxolan-3-yl)urea
SMILESCCC(C)(CC)NC(=O)NC1CCOC1
InChIInChI=1S/C11H22N2O2/c1-4-11(3,5-2)13-10(14)12-9-6-7-15-8-9/h9H,4-8H2,1-3H3,(H2,12,13,14)
InChIKeyMENKLISNXOZSAG-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.65
Rot. Bonds4

About 1-(3-methylpentan-3-yl)-3-(oxolan-3-yl)urea

1-(3-methylpentan-3-yl)-3-(oxolan-3-yl)urea (PubChem CID 103841144) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(3-methylpentan-3-yl)-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-(3-methylpentan-3-yl)-3-(oxolan-3-yl)urea
PubChem CID103841144
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(3-methylpentan-3-yl)-3-(oxolan-3-yl)urea
SMILESCCC(C)(CC)NC(=O)NC1CCOC1
InChIInChI=1S/C11H22N2O2/c1-4-11(3,5-2)13-10(14)12-9-6-7-15-8-9/h9H,4-8H2,1-3H3,(H2,12,13,14)
InChIKeyMENKLISNXOZSAG-UHFFFAOYSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-methylpentan-3-yl)-3-(oxolan-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentan-3-yl)-3-(oxolan-3-yl)urea?
The IUPAC name of 1-(3-methylpentan-3-yl)-3-(oxolan-3-yl)urea (CID 103841144) is 1-(3-methylpentan-3-yl)-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-(3-methylpentan-3-yl)-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-(3-methylpentan-3-yl)-3-(oxolan-3-yl)urea is CCC(C)(CC)NC(=O)NC1CCOC1.
What is the InChIKey of 1-(3-methylpentan-3-yl)-3-(oxolan-3-yl)urea?
The InChIKey is MENKLISNXOZSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-11(3,5-2)13-10(14)12-9-6-7-15-8-9/h9H,4-8H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-(3-methylpentan-3-yl)-3-(oxolan-3-yl)urea?
1-(3-methylpentan-3-yl)-3-(oxolan-3-yl)urea has a molecular weight of 214.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentan-3-yl)-3-(oxolan-3-yl)urea is sourced from PubChem (CID 103841144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).