2,2-dimethoxyethylurea

C5H12N2O3 — CID 13056426

IUPAC2,2-dimethoxyethylurea
SMILESCOC(CNC(N)=O)OC
InChIInChI=1S/C5H12N2O3/c1-9-4(10-2)3-7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)
InChIKeyNBWCUGCUILLCCN-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.73
Rot. Bonds4

About 2,2-dimethoxyethylurea

2,2-dimethoxyethylurea (PubChem CID 13056426) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2,2-dimethoxyethylurea.

Molecular Properties

Compound Name2,2-dimethoxyethylurea
PubChem CID13056426
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name2,2-dimethoxyethylurea
SMILESCOC(CNC(N)=O)OC
InChIInChI=1S/C5H12N2O3/c1-9-4(10-2)3-7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)
InChIKeyNBWCUGCUILLCCN-UHFFFAOYSA-N
XLogP-0.73
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2,2-dimethoxyethylurea?
The IUPAC name of 2,2-dimethoxyethylurea (CID 13056426) is 2,2-dimethoxyethylurea.
What is the SMILES notation for 2,2-dimethoxyethylurea?
The canonical SMILES for 2,2-dimethoxyethylurea is COC(CNC(N)=O)OC.
What is the InChIKey of 2,2-dimethoxyethylurea?
The InChIKey is NBWCUGCUILLCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3/c1-9-4(10-2)3-7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8).
What are the key properties of 2,2-dimethoxyethylurea?
2,2-dimethoxyethylurea has a molecular weight of 148.16 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethylurea is sourced from PubChem (CID 13056426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).