1-(2-ethoxyethyl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea

C11H24N2O5 — CID 90730287

IUPAC1-(2-ethoxyethyl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea
SMILESCCOCCNC(=O)NCCOCCOCCO
InChIInChI=1S/C11H24N2O5/c1-2-16-6-3-12-11(15)13-4-7-17-9-10-18-8-5-14/h14H,2-10H2,1H3,(H2,12,13,15)
InChIKeyDYJRTYBVJIGYFS-UHFFFAOYSA-N
MW264.32 g/mol
LogP-0.65
Rot. Bonds12

About 1-(2-ethoxyethyl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea

1-(2-ethoxyethyl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea (PubChem CID 90730287) has the molecular formula C11H24N2O5 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea
PubChem CID90730287
Molecular FormulaC11H24N2O5
Molecular Weight264.32 g/mol
Exact Mass264.17
IUPAC Name1-(2-ethoxyethyl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea
SMILESCCOCCNC(=O)NCCOCCOCCO
InChIInChI=1S/C11H24N2O5/c1-2-16-6-3-12-11(15)13-4-7-17-9-10-18-8-5-14/h14H,2-10H2,1H3,(H2,12,13,15)
InChIKeyDYJRTYBVJIGYFS-UHFFFAOYSA-N
XLogP-0.65
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea?
The IUPAC name of 1-(2-ethoxyethyl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea (CID 90730287) is 1-(2-ethoxyethyl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea?
The canonical SMILES for 1-(2-ethoxyethyl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea is CCOCCNC(=O)NCCOCCOCCO.
What is the InChIKey of 1-(2-ethoxyethyl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea?
The InChIKey is DYJRTYBVJIGYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O5/c1-2-16-6-3-12-11(15)13-4-7-17-9-10-18-8-5-14/h14H,2-10H2,1H3,(H2,12,13,15).
What are the key properties of 1-(2-ethoxyethyl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea?
1-(2-ethoxyethyl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea has a molecular weight of 264.32 g/mol, XLogP of -0.65, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea is sourced from PubChem (CID 90730287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).