1-(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea

C10H18N2O3 — CID 108913100

IUPAC1-(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea
SMILESCOCCNC(=O)NC=C1CCOCC1
InChIInChI=1S/C10H18N2O3/c1-14-7-4-11-10(13)12-8-9-2-5-15-6-3-9/h8H,2-7H2,1H3,(H2,11,12,13)
InChIKeyUPOZULMDDMWYQD-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.63
Rot. Bonds4

About 1-(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea

1-(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea (PubChem CID 108913100) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea
PubChem CID108913100
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea
SMILESCOCCNC(=O)NC=C1CCOCC1
InChIInChI=1S/C10H18N2O3/c1-14-7-4-11-10(13)12-8-9-2-5-15-6-3-9/h8H,2-7H2,1H3,(H2,11,12,13)
InChIKeyUPOZULMDDMWYQD-UHFFFAOYSA-N
XLogP0.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Cyclohexylidenemethyl)-3-(2-methoxyethyl)urea
CID 108912409
1-(Oxan-4-ylidenemethyl)-3-propylurea
CID 108913065
1-(Oxan-4-ylidenemethyl)-3-propan-2-ylurea
CID 108913090
2,6-dimethyl-N-(oxan-4-ylidenemethyl)morpholine-4-carboxamide
CID 108913093
1-(2-Methylpropyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913099
1-Butyl-3-(oxan-4-ylidenemethyl)urea
CID 108913101
1-(3-Ethoxypropyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913102
1-Butan-2-yl-3-(oxan-4-ylidenemethyl)urea
CID 108913103
1-(3-Methoxypropyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913109
1-(3-Butoxypropyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913110
1-Tert-butyl-3-(oxan-4-ylidenemethyl)urea
CID 108913112
1-(Oxan-4-ylidenemethyl)-3-(oxolan-2-ylmethyl)urea
CID 108913116

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea?
The IUPAC name of 1-(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea (CID 108913100) is 1-(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea is COCCNC(=O)NC=C1CCOCC1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea?
The InChIKey is UPOZULMDDMWYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-14-7-4-11-10(13)12-8-9-2-5-15-6-3-9/h8H,2-7H2,1H3,(H2,11,12,13).
What are the key properties of 1-(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea?
1-(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea has a molecular weight of 214.26 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea is sourced from PubChem (CID 108913100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).