(1,2-diethoxy-2-hydroxyethyl)urea

C7H16N2O4 — CID 88833014

IUPAC(1,2-diethoxy-2-hydroxyethyl)urea
SMILESCCOC(O)C(NC(N)=O)OCC
InChIInChI=1S/C7H16N2O4/c1-3-12-5(9-7(8)11)6(10)13-4-2/h5-6,10H,3-4H2,1-2H3,(H3,8,9,11)
InChIKeyADBCEPRDZCMWST-UHFFFAOYSA-N
MW192.21 g/mol
LogP-0.63
Rot. Bonds6

About (1,2-diethoxy-2-hydroxyethyl)urea

(1,2-diethoxy-2-hydroxyethyl)urea (PubChem CID 88833014) has the molecular formula C7H16N2O4 and a molecular weight of 192.21 g/mol. Its IUPAC name is (1,2-diethoxy-2-hydroxyethyl)urea.

Molecular Properties

Compound Name(1,2-diethoxy-2-hydroxyethyl)urea
PubChem CID88833014
Molecular FormulaC7H16N2O4
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name(1,2-diethoxy-2-hydroxyethyl)urea
SMILESCCOC(O)C(NC(N)=O)OCC
InChIInChI=1S/C7H16N2O4/c1-3-12-5(9-7(8)11)6(10)13-4-2/h5-6,10H,3-4H2,1-2H3,(H3,8,9,11)
InChIKeyADBCEPRDZCMWST-UHFFFAOYSA-N
XLogP-0.63
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
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 (1,2-diethoxy-2-hydroxyethyl)urea?
The IUPAC name of (1,2-diethoxy-2-hydroxyethyl)urea (CID 88833014) is (1,2-diethoxy-2-hydroxyethyl)urea.
What is the SMILES notation for (1,2-diethoxy-2-hydroxyethyl)urea?
The canonical SMILES for (1,2-diethoxy-2-hydroxyethyl)urea is CCOC(O)C(NC(N)=O)OCC.
What is the InChIKey of (1,2-diethoxy-2-hydroxyethyl)urea?
The InChIKey is ADBCEPRDZCMWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4/c1-3-12-5(9-7(8)11)6(10)13-4-2/h5-6,10H,3-4H2,1-2H3,(H3,8,9,11).
What are the key properties of (1,2-diethoxy-2-hydroxyethyl)urea?
(1,2-diethoxy-2-hydroxyethyl)urea has a molecular weight of 192.21 g/mol, XLogP of -0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-diethoxy-2-hydroxyethyl)urea is sourced from PubChem (CID 88833014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).