1-(2,2-dimethoxyethyl)-3-(2-methylprop-1-enyl)urea

C9H18N2O3 — CID 108909993

IUPAC1-(2,2-dimethoxyethyl)-3-(2-methylprop-1-enyl)urea
SMILESCOC(CNC(=O)NC=C(C)C)OC
InChIInChI=1S/C9H18N2O3/c1-7(2)5-10-9(12)11-6-8(13-3)14-4/h5,8H,6H2,1-4H3,(H2,10,11,12)
InChIKeyIUCKPYHBVGWTGA-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.83
Rot. Bonds5

About 1-(2,2-dimethoxyethyl)-3-(2-methylprop-1-enyl)urea

1-(2,2-dimethoxyethyl)-3-(2-methylprop-1-enyl)urea (PubChem CID 108909993) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-3-(2-methylprop-1-enyl)urea.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-3-(2-methylprop-1-enyl)urea
PubChem CID108909993
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name1-(2,2-dimethoxyethyl)-3-(2-methylprop-1-enyl)urea
SMILESCOC(CNC(=O)NC=C(C)C)OC
InChIInChI=1S/C9H18N2O3/c1-7(2)5-10-9(12)11-6-8(13-3)14-4/h5,8H,6H2,1-4H3,(H2,10,11,12)
InChIKeyIUCKPYHBVGWTGA-UHFFFAOYSA-N
XLogP0.83
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,2-dimethoxyethyl)-3-(2-methylprop-1-enyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)-3-(2-methylprop-1-enyl)urea?
The IUPAC name of 1-(2,2-dimethoxyethyl)-3-(2-methylprop-1-enyl)urea (CID 108909993) is 1-(2,2-dimethoxyethyl)-3-(2-methylprop-1-enyl)urea.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-3-(2-methylprop-1-enyl)urea?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-3-(2-methylprop-1-enyl)urea is COC(CNC(=O)NC=C(C)C)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-3-(2-methylprop-1-enyl)urea?
The InChIKey is IUCKPYHBVGWTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-7(2)5-10-9(12)11-6-8(13-3)14-4/h5,8H,6H2,1-4H3,(H2,10,11,12).
What are the key properties of 1-(2,2-dimethoxyethyl)-3-(2-methylprop-1-enyl)urea?
1-(2,2-dimethoxyethyl)-3-(2-methylprop-1-enyl)urea has a molecular weight of 202.25 g/mol, XLogP of 0.83, 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-(2-methylprop-1-enyl)urea is sourced from PubChem (CID 108909993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).