3-(3-ethoxypropyl)-1,1-bis(prop-2-enyl)urea

C12H22N2O2 — CID 78833160

IUPAC3-(3-ethoxypropyl)-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NCCCOCC
InChIInChI=1S/C12H22N2O2/c1-4-9-14(10-5-2)12(15)13-8-7-11-16-6-3/h4-5H,1-2,6-11H2,3H3,(H,13,15)
InChIKeyAWGJEIIDGSDRGU-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.80
Rot. Bonds9

About 3-(3-ethoxypropyl)-1,1-bis(prop-2-enyl)urea

3-(3-ethoxypropyl)-1,1-bis(prop-2-enyl)urea (PubChem CID 78833160) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(3-ethoxypropyl)-1,1-bis(prop-2-enyl)urea.

Molecular Properties

Compound Name3-(3-ethoxypropyl)-1,1-bis(prop-2-enyl)urea
PubChem CID78833160
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(3-ethoxypropyl)-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NCCCOCC
InChIInChI=1S/C12H22N2O2/c1-4-9-14(10-5-2)12(15)13-8-7-11-16-6-3/h4-5H,1-2,6-11H2,3H3,(H,13,15)
InChIKeyAWGJEIIDGSDRGU-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-ethoxypropyl)-1,1-bis(prop-2-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 3-(3-ethoxypropyl)-1,1-bis(prop-2-enyl)urea?
The IUPAC name of 3-(3-ethoxypropyl)-1,1-bis(prop-2-enyl)urea (CID 78833160) is 3-(3-ethoxypropyl)-1,1-bis(prop-2-enyl)urea.
What is the SMILES notation for 3-(3-ethoxypropyl)-1,1-bis(prop-2-enyl)urea?
The canonical SMILES for 3-(3-ethoxypropyl)-1,1-bis(prop-2-enyl)urea is C=CCN(CC=C)C(=O)NCCCOCC.
What is the InChIKey of 3-(3-ethoxypropyl)-1,1-bis(prop-2-enyl)urea?
The InChIKey is AWGJEIIDGSDRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-9-14(10-5-2)12(15)13-8-7-11-16-6-3/h4-5H,1-2,6-11H2,3H3,(H,13,15).
What are the key properties of 3-(3-ethoxypropyl)-1,1-bis(prop-2-enyl)urea?
3-(3-ethoxypropyl)-1,1-bis(prop-2-enyl)urea has a molecular weight of 226.32 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypropyl)-1,1-bis(prop-2-enyl)urea is sourced from PubChem (CID 78833160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).