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

C7H16N2O3 — CID 14065289

IUPAC1-(2,2-dimethoxyethyl)-3-ethylurea
SMILESCCNC(=O)NCC(OC)OC
InChIInChI=1S/C7H16N2O3/c1-4-8-7(10)9-5-6(11-2)12-3/h6H,4-5H2,1-3H3,(H2,8,9,10)
InChIKeyIWTLEGLICNQGKQ-UHFFFAOYSA-N
MW176.22 g/mol
LogP-0.08
Rot. Bonds5

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

1-(2,2-dimethoxyethyl)-3-ethylurea (PubChem CID 14065289) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-3-ethylurea.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-3-ethylurea
PubChem CID14065289
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name1-(2,2-dimethoxyethyl)-3-ethylurea
SMILESCCNC(=O)NCC(OC)OC
InChIInChI=1S/C7H16N2O3/c1-4-8-7(10)9-5-6(11-2)12-3/h6H,4-5H2,1-3H3,(H2,8,9,10)
InChIKeyIWTLEGLICNQGKQ-UHFFFAOYSA-N
XLogP-0.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-0.08
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-ethylurea?
The IUPAC name of 1-(2,2-dimethoxyethyl)-3-ethylurea (CID 14065289) is 1-(2,2-dimethoxyethyl)-3-ethylurea.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-3-ethylurea?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-3-ethylurea is CCNC(=O)NCC(OC)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-3-ethylurea?
The InChIKey is IWTLEGLICNQGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-4-8-7(10)9-5-6(11-2)12-3/h6H,4-5H2,1-3H3,(H2,8,9,10).
What are the key properties of 1-(2,2-dimethoxyethyl)-3-ethylurea?
1-(2,2-dimethoxyethyl)-3-ethylurea has a molecular weight of 176.22 g/mol, XLogP of -0.08, 5 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-ethylurea is sourced from PubChem (CID 14065289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).