3-tert-butyl-1-(2-methoxyethyl)-1-prop-2-enylurea

C11H22N2O2 — CID 103338603

IUPAC3-tert-butyl-1-(2-methoxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCOC)C(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-6-7-13(8-9-15-5)10(14)12-11(2,3)4/h6H,1,7-9H2,2-5H3,(H,12,14)
InChIKeyJYXCYOMWYNNWBU-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.63
Rot. Bonds5

About 3-tert-butyl-1-(2-methoxyethyl)-1-prop-2-enylurea

3-tert-butyl-1-(2-methoxyethyl)-1-prop-2-enylurea (PubChem CID 103338603) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-tert-butyl-1-(2-methoxyethyl)-1-prop-2-enylurea.

Molecular Properties

Compound Name3-tert-butyl-1-(2-methoxyethyl)-1-prop-2-enylurea
PubChem CID103338603
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-tert-butyl-1-(2-methoxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCOC)C(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-6-7-13(8-9-15-5)10(14)12-11(2,3)4/h6H,1,7-9H2,2-5H3,(H,12,14)
InChIKeyJYXCYOMWYNNWBU-UHFFFAOYSA-N
XLogP1.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-tert-butyl-1-(2-methoxyethyl)-1-prop-2-enylurea 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 3-tert-butyl-1-(2-methoxyethyl)-1-prop-2-enylurea?
The IUPAC name of 3-tert-butyl-1-(2-methoxyethyl)-1-prop-2-enylurea (CID 103338603) is 3-tert-butyl-1-(2-methoxyethyl)-1-prop-2-enylurea.
What is the SMILES notation for 3-tert-butyl-1-(2-methoxyethyl)-1-prop-2-enylurea?
The canonical SMILES for 3-tert-butyl-1-(2-methoxyethyl)-1-prop-2-enylurea is C=CCN(CCOC)C(=O)NC(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-(2-methoxyethyl)-1-prop-2-enylurea?
The InChIKey is JYXCYOMWYNNWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-6-7-13(8-9-15-5)10(14)12-11(2,3)4/h6H,1,7-9H2,2-5H3,(H,12,14).
What are the key properties of 3-tert-butyl-1-(2-methoxyethyl)-1-prop-2-enylurea?
3-tert-butyl-1-(2-methoxyethyl)-1-prop-2-enylurea has a molecular weight of 214.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2-methoxyethyl)-1-prop-2-enylurea is sourced from PubChem (CID 103338603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).