1-(2-methoxyethyl)-3-(2-methylprop-1-enyl)urea

C8H16N2O2 — CID 108909803

IUPAC1-(2-methoxyethyl)-3-(2-methylprop-1-enyl)urea
SMILESCOCCNC(=O)NC=C(C)C
InChIInChI=1S/C8H16N2O2/c1-7(2)6-10-8(11)9-4-5-12-3/h6H,4-5H2,1-3H3,(H2,9,10,11)
InChIKeySIYSQEGLCGAYBH-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.86
Rot. Bonds4

About 1-(2-methoxyethyl)-3-(2-methylprop-1-enyl)urea

1-(2-methoxyethyl)-3-(2-methylprop-1-enyl)urea (PubChem CID 108909803) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(2-methylprop-1-enyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(2-methylprop-1-enyl)urea
PubChem CID108909803
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-(2-methoxyethyl)-3-(2-methylprop-1-enyl)urea
SMILESCOCCNC(=O)NC=C(C)C
InChIInChI=1S/C8H16N2O2/c1-7(2)6-10-8(11)9-4-5-12-3/h6H,4-5H2,1-3H3,(H2,9,10,11)
InChIKeySIYSQEGLCGAYBH-UHFFFAOYSA-N
XLogP0.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-Methylprop-2-enylperoxy)ethyl]-3-(2-methylprop-2-enylperoxymethyl)urea
CID 20654754
1,3-Bis[2-(2-methylprop-1-enoxy)ethyl]urea
CID 151388958
1-(2,2-Dicyanoethenyl)-3-(2-methoxyethyl)urea
CID 350416
1-(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea
CID 108909432
1,1-bis(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea
CID 108909605
1-(3-Ethoxypropyl)-3-(2-methylprop-1-enyl)urea
CID 108909804
1-(3-Methoxypropyl)-3-(2-methylprop-1-enyl)urea
CID 108909811
1-(3-Butoxypropyl)-3-(2-methylprop-1-enyl)urea
CID 108909812
N-(2-methylprop-1-enyl)morpholine-4-carboxamide
CID 108909830
1,1-Bis(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea
CID 108909832
1-(2-Methylprop-1-enyl)-3-(2-morpholin-4-ylethyl)urea
CID 108909881
1-(2-Methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)urea
CID 108909888

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(2-methylprop-1-enyl)urea?
The IUPAC name of 1-(2-methoxyethyl)-3-(2-methylprop-1-enyl)urea (CID 108909803) is 1-(2-methoxyethyl)-3-(2-methylprop-1-enyl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(2-methylprop-1-enyl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(2-methylprop-1-enyl)urea is COCCNC(=O)NC=C(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-3-(2-methylprop-1-enyl)urea?
The InChIKey is SIYSQEGLCGAYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(2)6-10-8(11)9-4-5-12-3/h6H,4-5H2,1-3H3,(H2,9,10,11).
What are the key properties of 1-(2-methoxyethyl)-3-(2-methylprop-1-enyl)urea?
1-(2-methoxyethyl)-3-(2-methylprop-1-enyl)urea has a molecular weight of 172.23 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(2-methylprop-1-enyl)urea is sourced from PubChem (CID 108909803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).