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

C11H24N2O4 — CID 22381209

IUPAC1-butyl-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea
SMILESCCCCNC(=O)NCCOCCOCCO
InChIInChI=1S/C11H24N2O4/c1-2-3-4-12-11(15)13-5-7-16-9-10-17-8-6-14/h14H,2-10H2,1H3,(H2,12,13,15)
InChIKeyBIEWEFVVNSUOOO-UHFFFAOYSA-N
MW248.32 g/mol
LogP0.11
Rot. Bonds11

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

1-butyl-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea (PubChem CID 22381209) has the molecular formula C11H24N2O4 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-butyl-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea.

Molecular Properties

Compound Name1-butyl-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea
PubChem CID22381209
Molecular FormulaC11H24N2O4
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name1-butyl-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea
SMILESCCCCNC(=O)NCCOCCOCCO
InChIInChI=1S/C11H24N2O4/c1-2-3-4-12-11(15)13-5-7-16-9-10-17-8-6-14/h14H,2-10H2,1H3,(H2,12,13,15)
InChIKeyBIEWEFVVNSUOOO-UHFFFAOYSA-N
XLogP0.11
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-butyl-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea?
The IUPAC name of 1-butyl-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea (CID 22381209) is 1-butyl-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea.
What is the SMILES notation for 1-butyl-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea?
The canonical SMILES for 1-butyl-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea is CCCCNC(=O)NCCOCCOCCO.
What is the InChIKey of 1-butyl-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea?
The InChIKey is BIEWEFVVNSUOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4/c1-2-3-4-12-11(15)13-5-7-16-9-10-17-8-6-14/h14H,2-10H2,1H3,(H2,12,13,15).
What are the key properties of 1-butyl-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea?
1-butyl-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea has a molecular weight of 248.32 g/mol, XLogP of 0.11, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea is sourced from PubChem (CID 22381209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).