3-(2-hydroxyethyl)-1-methoxy-1-methylurea

C5H12N2O3 — CID 89140383

IUPAC3-(2-hydroxyethyl)-1-methoxy-1-methylurea
SMILESCON(C)C(=O)NCCO
InChIInChI=1S/C5H12N2O3/c1-7(10-2)5(9)6-3-4-8/h8H,3-4H2,1-2H3,(H,6,9)
InChIKeyGEOZVEDSUATUIA-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.82
Rot. Bonds3

About 3-(2-hydroxyethyl)-1-methoxy-1-methylurea

3-(2-hydroxyethyl)-1-methoxy-1-methylurea (PubChem CID 89140383) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1-methoxy-1-methylurea.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1-methoxy-1-methylurea
PubChem CID89140383
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name3-(2-hydroxyethyl)-1-methoxy-1-methylurea
SMILESCON(C)C(=O)NCCO
InChIInChI=1S/C5H12N2O3/c1-7(10-2)5(9)6-3-4-8/h8H,3-4H2,1-2H3,(H,6,9)
InChIKeyGEOZVEDSUATUIA-UHFFFAOYSA-N
XLogP-0.82
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1-methoxy-1-methylurea?
The IUPAC name of 3-(2-hydroxyethyl)-1-methoxy-1-methylurea (CID 89140383) is 3-(2-hydroxyethyl)-1-methoxy-1-methylurea.
What is the SMILES notation for 3-(2-hydroxyethyl)-1-methoxy-1-methylurea?
The canonical SMILES for 3-(2-hydroxyethyl)-1-methoxy-1-methylurea is CON(C)C(=O)NCCO.
What is the InChIKey of 3-(2-hydroxyethyl)-1-methoxy-1-methylurea?
The InChIKey is GEOZVEDSUATUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3/c1-7(10-2)5(9)6-3-4-8/h8H,3-4H2,1-2H3,(H,6,9).
What are the key properties of 3-(2-hydroxyethyl)-1-methoxy-1-methylurea?
3-(2-hydroxyethyl)-1-methoxy-1-methylurea has a molecular weight of 148.16 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1-methoxy-1-methylurea is sourced from PubChem (CID 89140383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).