1-ethyl-3-(3-methyloxan-3-yl)urea

C9H18N2O2 — CID 103895712

IUPAC1-ethyl-3-(3-methyloxan-3-yl)urea
SMILESCCNC(=O)NC1(C)CCCOC1
InChIInChI=1S/C9H18N2O2/c1-3-10-8(12)11-9(2)5-4-6-13-7-9/h3-7H2,1-2H3,(H2,10,11,12)
InChIKeyVMLPXGPROISORU-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.87
Rot. Bonds2

About 1-ethyl-3-(3-methyloxan-3-yl)urea

1-ethyl-3-(3-methyloxan-3-yl)urea (PubChem CID 103895712) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-ethyl-3-(3-methyloxan-3-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(3-methyloxan-3-yl)urea
PubChem CID103895712
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-ethyl-3-(3-methyloxan-3-yl)urea
SMILESCCNC(=O)NC1(C)CCCOC1
InChIInChI=1S/C9H18N2O2/c1-3-10-8(12)11-9(2)5-4-6-13-7-9/h3-7H2,1-2H3,(H2,10,11,12)
InChIKeyVMLPXGPROISORU-UHFFFAOYSA-N
XLogP0.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-3-(3-methyloxan-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-ethyl-3-(3-methyloxan-3-yl)urea?
The IUPAC name of 1-ethyl-3-(3-methyloxan-3-yl)urea (CID 103895712) is 1-ethyl-3-(3-methyloxan-3-yl)urea.
What is the SMILES notation for 1-ethyl-3-(3-methyloxan-3-yl)urea?
The canonical SMILES for 1-ethyl-3-(3-methyloxan-3-yl)urea is CCNC(=O)NC1(C)CCCOC1.
What is the InChIKey of 1-ethyl-3-(3-methyloxan-3-yl)urea?
The InChIKey is VMLPXGPROISORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-10-8(12)11-9(2)5-4-6-13-7-9/h3-7H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-ethyl-3-(3-methyloxan-3-yl)urea?
1-ethyl-3-(3-methyloxan-3-yl)urea has a molecular weight of 186.25 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methyloxan-3-yl)urea is sourced from PubChem (CID 103895712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).