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

C12H24N2O2 — CID 115760745

IUPAC1-(3-ethylpentan-3-yl)-3-(oxolan-3-yl)urea
SMILESCCC(CC)(CC)NC(=O)NC1CCOC1
InChIInChI=1S/C12H24N2O2/c1-4-12(5-2,6-3)14-11(15)13-10-7-8-16-9-10/h10H,4-9H2,1-3H3,(H2,13,14,15)
InChIKeyIACDFPDXKWBAKM-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.04
Rot. Bonds5

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

1-(3-ethylpentan-3-yl)-3-(oxolan-3-yl)urea (PubChem CID 115760745) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(3-ethylpentan-3-yl)-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-(3-ethylpentan-3-yl)-3-(oxolan-3-yl)urea
PubChem CID115760745
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(3-ethylpentan-3-yl)-3-(oxolan-3-yl)urea
SMILESCCC(CC)(CC)NC(=O)NC1CCOC1
InChIInChI=1S/C12H24N2O2/c1-4-12(5-2,6-3)14-11(15)13-10-7-8-16-9-10/h10H,4-9H2,1-3H3,(H2,13,14,15)
InChIKeyIACDFPDXKWBAKM-UHFFFAOYSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpentan-3-yl)-3-(oxolan-3-yl)urea?
The IUPAC name of 1-(3-ethylpentan-3-yl)-3-(oxolan-3-yl)urea (CID 115760745) is 1-(3-ethylpentan-3-yl)-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-(3-ethylpentan-3-yl)-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-(3-ethylpentan-3-yl)-3-(oxolan-3-yl)urea is CCC(CC)(CC)NC(=O)NC1CCOC1.
What is the InChIKey of 1-(3-ethylpentan-3-yl)-3-(oxolan-3-yl)urea?
The InChIKey is IACDFPDXKWBAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-12(5-2,6-3)14-11(15)13-10-7-8-16-9-10/h10H,4-9H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(3-ethylpentan-3-yl)-3-(oxolan-3-yl)urea?
1-(3-ethylpentan-3-yl)-3-(oxolan-3-yl)urea has a molecular weight of 228.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpentan-3-yl)-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115760745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).