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

C9H20N2O7 — CID 14323483

IUPAC1,3-bis(1-hydroxy-2,2-dimethoxyethyl)urea
SMILESCOC(OC)C(O)NC(=O)NC(O)C(OC)OC
InChIInChI=1S/C9H20N2O7/c1-15-7(16-2)5(12)10-9(14)11-6(13)8(17-3)18-4/h5-8,12-13H,1-4H3,(H2,10,11,14)
InChIKeyMYGNTYVJTDYOAN-UHFFFAOYSA-N
MW268.27 g/mol
LogP-1.84
Rot. Bonds8

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

1,3-bis(1-hydroxy-2,2-dimethoxyethyl)urea (PubChem CID 14323483) has the molecular formula C9H20N2O7 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1,3-bis(1-hydroxy-2,2-dimethoxyethyl)urea.

Molecular Properties

Compound Name1,3-bis(1-hydroxy-2,2-dimethoxyethyl)urea
PubChem CID14323483
Molecular FormulaC9H20N2O7
Molecular Weight268.27 g/mol
Exact Mass268.13
IUPAC Name1,3-bis(1-hydroxy-2,2-dimethoxyethyl)urea
SMILESCOC(OC)C(O)NC(=O)NC(O)C(OC)OC
InChIInChI=1S/C9H20N2O7/c1-15-7(16-2)5(12)10-9(14)11-6(13)8(17-3)18-4/h5-8,12-13H,1-4H3,(H2,10,11,14)
InChIKeyMYGNTYVJTDYOAN-UHFFFAOYSA-N
XLogP-1.84
TPSA118.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-1.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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(1-hydroxy-2,2-dimethoxyethyl)urea?
The IUPAC name of 1,3-bis(1-hydroxy-2,2-dimethoxyethyl)urea (CID 14323483) is 1,3-bis(1-hydroxy-2,2-dimethoxyethyl)urea.
What is the SMILES notation for 1,3-bis(1-hydroxy-2,2-dimethoxyethyl)urea?
The canonical SMILES for 1,3-bis(1-hydroxy-2,2-dimethoxyethyl)urea is COC(OC)C(O)NC(=O)NC(O)C(OC)OC.
What is the InChIKey of 1,3-bis(1-hydroxy-2,2-dimethoxyethyl)urea?
The InChIKey is MYGNTYVJTDYOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O7/c1-15-7(16-2)5(12)10-9(14)11-6(13)8(17-3)18-4/h5-8,12-13H,1-4H3,(H2,10,11,14).
What are the key properties of 1,3-bis(1-hydroxy-2,2-dimethoxyethyl)urea?
1,3-bis(1-hydroxy-2,2-dimethoxyethyl)urea has a molecular weight of 268.27 g/mol, XLogP of -1.84, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1-hydroxy-2,2-dimethoxyethyl)urea is sourced from PubChem (CID 14323483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).