1-ethyl-3-(methoxymethyl)urea

C5H12N2O2 — CID 20720397

IUPAC1-ethyl-3-(methoxymethyl)urea
SMILESCCNC(=O)NCOC
InChIInChI=1S/C5H12N2O2/c1-3-6-5(8)7-4-9-2/h3-4H2,1-2H3,(H2,6,7,8)
InChIKeyHRBFXBWDMCKNGP-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.09
Rot. Bonds3

About 1-ethyl-3-(methoxymethyl)urea

1-ethyl-3-(methoxymethyl)urea (PubChem CID 20720397) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 1-ethyl-3-(methoxymethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(methoxymethyl)urea
PubChem CID20720397
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name1-ethyl-3-(methoxymethyl)urea
SMILESCCNC(=O)NCOC
InChIInChI=1S/C5H12N2O2/c1-3-6-5(8)7-4-9-2/h3-4H2,1-2H3,(H2,6,7,8)
InChIKeyHRBFXBWDMCKNGP-UHFFFAOYSA-N
XLogP-0.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(methoxymethyl)urea?
The IUPAC name of 1-ethyl-3-(methoxymethyl)urea (CID 20720397) is 1-ethyl-3-(methoxymethyl)urea.
What is the SMILES notation for 1-ethyl-3-(methoxymethyl)urea?
The canonical SMILES for 1-ethyl-3-(methoxymethyl)urea is CCNC(=O)NCOC.
What is the InChIKey of 1-ethyl-3-(methoxymethyl)urea?
The InChIKey is HRBFXBWDMCKNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-3-6-5(8)7-4-9-2/h3-4H2,1-2H3,(H2,6,7,8).
What are the key properties of 1-ethyl-3-(methoxymethyl)urea?
1-ethyl-3-(methoxymethyl)urea has a molecular weight of 132.16 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(methoxymethyl)urea is sourced from PubChem (CID 20720397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).