3-(2-hydroxyethyl)-1,1-bis(methoxymethyl)urea

C7H16N2O4 — CID 58519969

IUPAC3-(2-hydroxyethyl)-1,1-bis(methoxymethyl)urea
SMILESCOCN(COC)C(=O)NCCO
InChIInChI=1S/C7H16N2O4/c1-12-5-9(6-13-2)7(11)8-3-4-10/h10H,3-6H2,1-2H3,(H,8,11)
InChIKeyQDZBIDCIMMXWNZ-UHFFFAOYSA-N
MW192.21 g/mol
LogP-0.80
Rot. Bonds6

About 3-(2-hydroxyethyl)-1,1-bis(methoxymethyl)urea

3-(2-hydroxyethyl)-1,1-bis(methoxymethyl)urea (PubChem CID 58519969) has the molecular formula C7H16N2O4 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1,1-bis(methoxymethyl)urea.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1,1-bis(methoxymethyl)urea
PubChem CID58519969
Molecular FormulaC7H16N2O4
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name3-(2-hydroxyethyl)-1,1-bis(methoxymethyl)urea
SMILESCOCN(COC)C(=O)NCCO
InChIInChI=1S/C7H16N2O4/c1-12-5-9(6-13-2)7(11)8-3-4-10/h10H,3-6H2,1-2H3,(H,8,11)
InChIKeyQDZBIDCIMMXWNZ-UHFFFAOYSA-N
XLogP-0.80
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-(2-hydroxyethyl)-1,1-bis(methoxymethyl)urea?
The IUPAC name of 3-(2-hydroxyethyl)-1,1-bis(methoxymethyl)urea (CID 58519969) is 3-(2-hydroxyethyl)-1,1-bis(methoxymethyl)urea.
What is the SMILES notation for 3-(2-hydroxyethyl)-1,1-bis(methoxymethyl)urea?
The canonical SMILES for 3-(2-hydroxyethyl)-1,1-bis(methoxymethyl)urea is COCN(COC)C(=O)NCCO.
What is the InChIKey of 3-(2-hydroxyethyl)-1,1-bis(methoxymethyl)urea?
The InChIKey is QDZBIDCIMMXWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4/c1-12-5-9(6-13-2)7(11)8-3-4-10/h10H,3-6H2,1-2H3,(H,8,11).
What are the key properties of 3-(2-hydroxyethyl)-1,1-bis(methoxymethyl)urea?
3-(2-hydroxyethyl)-1,1-bis(methoxymethyl)urea has a molecular weight of 192.21 g/mol, XLogP of -0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1,1-bis(methoxymethyl)urea is sourced from PubChem (CID 58519969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).