3-ethenyl-1,1-bis(2-methoxyethyl)urea

C9H18N2O3 — CID 108909235

IUPAC3-ethenyl-1,1-bis(2-methoxyethyl)urea
SMILESC=CNC(=O)N(CCOC)CCOC
InChIInChI=1S/C9H18N2O3/c1-4-10-9(12)11(5-7-13-2)6-8-14-3/h4H,1,5-8H2,2-3H3,(H,10,12)
InChIKeyOCEPERIDCFQVRX-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.43
Rot. Bonds7

About 3-ethenyl-1,1-bis(2-methoxyethyl)urea

3-ethenyl-1,1-bis(2-methoxyethyl)urea (PubChem CID 108909235) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-ethenyl-1,1-bis(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-ethenyl-1,1-bis(2-methoxyethyl)urea
PubChem CID108909235
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-ethenyl-1,1-bis(2-methoxyethyl)urea
SMILESC=CNC(=O)N(CCOC)CCOC
InChIInChI=1S/C9H18N2O3/c1-4-10-9(12)11(5-7-13-2)6-8-14-3/h4H,1,5-8H2,2-3H3,(H,10,12)
InChIKeyOCEPERIDCFQVRX-UHFFFAOYSA-N
XLogP0.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,1-bis(2-methoxyethyl)urea?
The IUPAC name of 3-ethenyl-1,1-bis(2-methoxyethyl)urea (CID 108909235) is 3-ethenyl-1,1-bis(2-methoxyethyl)urea.
What is the SMILES notation for 3-ethenyl-1,1-bis(2-methoxyethyl)urea?
The canonical SMILES for 3-ethenyl-1,1-bis(2-methoxyethyl)urea is C=CNC(=O)N(CCOC)CCOC.
What is the InChIKey of 3-ethenyl-1,1-bis(2-methoxyethyl)urea?
The InChIKey is OCEPERIDCFQVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-10-9(12)11(5-7-13-2)6-8-14-3/h4H,1,5-8H2,2-3H3,(H,10,12).
What are the key properties of 3-ethenyl-1,1-bis(2-methoxyethyl)urea?
3-ethenyl-1,1-bis(2-methoxyethyl)urea has a molecular weight of 202.25 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,1-bis(2-methoxyethyl)urea is sourced from PubChem (CID 108909235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).