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

C7H16N2O5 — CID 57276447

IUPAC1,3-bis(2-hydroxy-2-methoxyethyl)urea
SMILESCOC(O)CNC(=O)NCC(O)OC
InChIInChI=1S/C7H16N2O5/c1-13-5(10)3-8-7(12)9-4-6(11)14-2/h5-6,10-11H,3-4H2,1-2H3,(H2,8,9,12)
InChIKeyDGZGBJYNJLWLEC-UHFFFAOYSA-N
MW208.21 g/mol
LogP-1.78
Rot. Bonds6

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

1,3-bis(2-hydroxy-2-methoxyethyl)urea (PubChem CID 57276447) has the molecular formula C7H16N2O5 and a molecular weight of 208.21 g/mol. Its IUPAC name is 1,3-bis(2-hydroxy-2-methoxyethyl)urea.

Molecular Properties

Compound Name1,3-bis(2-hydroxy-2-methoxyethyl)urea
PubChem CID57276447
Molecular FormulaC7H16N2O5
Molecular Weight208.21 g/mol
Exact Mass208.11
IUPAC Name1,3-bis(2-hydroxy-2-methoxyethyl)urea
SMILESCOC(O)CNC(=O)NCC(O)OC
InChIInChI=1S/C7H16N2O5/c1-13-5(10)3-8-7(12)9-4-6(11)14-2/h5-6,10-11H,3-4H2,1-2H3,(H2,8,9,12)
InChIKeyDGZGBJYNJLWLEC-UHFFFAOYSA-N
XLogP-1.78
TPSA100.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-hydroxy-2-methoxyethyl)urea?
The IUPAC name of 1,3-bis(2-hydroxy-2-methoxyethyl)urea (CID 57276447) is 1,3-bis(2-hydroxy-2-methoxyethyl)urea.
What is the SMILES notation for 1,3-bis(2-hydroxy-2-methoxyethyl)urea?
The canonical SMILES for 1,3-bis(2-hydroxy-2-methoxyethyl)urea is COC(O)CNC(=O)NCC(O)OC.
What is the InChIKey of 1,3-bis(2-hydroxy-2-methoxyethyl)urea?
The InChIKey is DGZGBJYNJLWLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O5/c1-13-5(10)3-8-7(12)9-4-6(11)14-2/h5-6,10-11H,3-4H2,1-2H3,(H2,8,9,12).
What are the key properties of 1,3-bis(2-hydroxy-2-methoxyethyl)urea?
1,3-bis(2-hydroxy-2-methoxyethyl)urea has a molecular weight of 208.21 g/mol, XLogP of -1.78, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-hydroxy-2-methoxyethyl)urea is sourced from PubChem (CID 57276447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).