1-(2,2-dimethoxyethyl)-3-methylurea

C6H14N2O3 — CID 14065288

IUPAC1-(2,2-dimethoxyethyl)-3-methylurea
SMILESCNC(=O)NCC(OC)OC
InChIInChI=1S/C6H14N2O3/c1-7-6(9)8-4-5(10-2)11-3/h5H,4H2,1-3H3,(H2,7,8,9)
InChIKeyAINYXWCKDLSXCA-UHFFFAOYSA-N
MW162.19 g/mol
LogP-0.47
Rot. Bonds4

About 1-(2,2-dimethoxyethyl)-3-methylurea

1-(2,2-dimethoxyethyl)-3-methylurea (PubChem CID 14065288) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-3-methylurea.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-3-methylurea
PubChem CID14065288
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name1-(2,2-dimethoxyethyl)-3-methylurea
SMILESCNC(=O)NCC(OC)OC
InChIInChI=1S/C6H14N2O3/c1-7-6(9)8-4-5(10-2)11-3/h5H,4H2,1-3H3,(H2,7,8,9)
InChIKeyAINYXWCKDLSXCA-UHFFFAOYSA-N
XLogP-0.47
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-0.47
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 1-(2,2-dimethoxyethyl)-3-methylurea?
The IUPAC name of 1-(2,2-dimethoxyethyl)-3-methylurea (CID 14065288) is 1-(2,2-dimethoxyethyl)-3-methylurea.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-3-methylurea?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-3-methylurea is CNC(=O)NCC(OC)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-3-methylurea?
The InChIKey is AINYXWCKDLSXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-7-6(9)8-4-5(10-2)11-3/h5H,4H2,1-3H3,(H2,7,8,9).
What are the key properties of 1-(2,2-dimethoxyethyl)-3-methylurea?
1-(2,2-dimethoxyethyl)-3-methylurea has a molecular weight of 162.19 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)-3-methylurea is sourced from PubChem (CID 14065288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).