1-(1,4-dioxan-2-ylmethyl)-3-methoxyurea

C7H14N2O4 — CID 130677318

IUPAC1-(1,4-dioxan-2-ylmethyl)-3-methoxyurea
SMILESCONC(=O)NCC1COCCO1
InChIInChI=1S/C7H14N2O4/c1-11-9-7(10)8-4-6-5-12-2-3-13-6/h6H,2-5H2,1H3,(H2,8,9,10)
InChIKeyWQPCTTXTAVJPCS-UHFFFAOYSA-N
MW190.20 g/mol
LogP-0.74
Rot. Bonds3

About 1-(1,4-dioxan-2-ylmethyl)-3-methoxyurea

1-(1,4-dioxan-2-ylmethyl)-3-methoxyurea (PubChem CID 130677318) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-ylmethyl)-3-methoxyurea.

Molecular Properties

Compound Name1-(1,4-dioxan-2-ylmethyl)-3-methoxyurea
PubChem CID130677318
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name1-(1,4-dioxan-2-ylmethyl)-3-methoxyurea
SMILESCONC(=O)NCC1COCCO1
InChIInChI=1S/C7H14N2O4/c1-11-9-7(10)8-4-6-5-12-2-3-13-6/h6H,2-5H2,1H3,(H2,8,9,10)
InChIKeyWQPCTTXTAVJPCS-UHFFFAOYSA-N
XLogP-0.74
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(1,4-dioxan-2-ylmethyl)-3-methoxyurea 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 1-(1,4-dioxan-2-ylmethyl)-3-methoxyurea?
The IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-3-methoxyurea (CID 130677318) is 1-(1,4-dioxan-2-ylmethyl)-3-methoxyurea.
What is the SMILES notation for 1-(1,4-dioxan-2-ylmethyl)-3-methoxyurea?
The canonical SMILES for 1-(1,4-dioxan-2-ylmethyl)-3-methoxyurea is CONC(=O)NCC1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-ylmethyl)-3-methoxyurea?
The InChIKey is WQPCTTXTAVJPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-11-9-7(10)8-4-6-5-12-2-3-13-6/h6H,2-5H2,1H3,(H2,8,9,10).
What are the key properties of 1-(1,4-dioxan-2-ylmethyl)-3-methoxyurea?
1-(1,4-dioxan-2-ylmethyl)-3-methoxyurea has a molecular weight of 190.20 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-ylmethyl)-3-methoxyurea is sourced from PubChem (CID 130677318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).