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

C9H20N2O3 — CID 22381462

IUPAC1-butyl-3-[2-(2-hydroxyethoxy)ethyl]urea
SMILESCCCCNC(=O)NCCOCCO
InChIInChI=1S/C9H20N2O3/c1-2-3-4-10-9(13)11-5-7-14-8-6-12/h12H,2-8H2,1H3,(H2,10,11,13)
InChIKeyMOVZQPORJLGIDU-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.09
Rot. Bonds8

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

1-butyl-3-[2-(2-hydroxyethoxy)ethyl]urea (PubChem CID 22381462) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-butyl-3-[2-(2-hydroxyethoxy)ethyl]urea.

Molecular Properties

Compound Name1-butyl-3-[2-(2-hydroxyethoxy)ethyl]urea
PubChem CID22381462
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name1-butyl-3-[2-(2-hydroxyethoxy)ethyl]urea
SMILESCCCCNC(=O)NCCOCCO
InChIInChI=1S/C9H20N2O3/c1-2-3-4-10-9(13)11-5-7-14-8-6-12/h12H,2-8H2,1H3,(H2,10,11,13)
InChIKeyMOVZQPORJLGIDU-UHFFFAOYSA-N
XLogP0.09
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-hydroxyethoxy)ethyl]urea?
The IUPAC name of 1-butyl-3-[2-(2-hydroxyethoxy)ethyl]urea (CID 22381462) is 1-butyl-3-[2-(2-hydroxyethoxy)ethyl]urea.
What is the SMILES notation for 1-butyl-3-[2-(2-hydroxyethoxy)ethyl]urea?
The canonical SMILES for 1-butyl-3-[2-(2-hydroxyethoxy)ethyl]urea is CCCCNC(=O)NCCOCCO.
What is the InChIKey of 1-butyl-3-[2-(2-hydroxyethoxy)ethyl]urea?
The InChIKey is MOVZQPORJLGIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-2-3-4-10-9(13)11-5-7-14-8-6-12/h12H,2-8H2,1H3,(H2,10,11,13).
What are the key properties of 1-butyl-3-[2-(2-hydroxyethoxy)ethyl]urea?
1-butyl-3-[2-(2-hydroxyethoxy)ethyl]urea has a molecular weight of 204.27 g/mol, XLogP of 0.09, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[2-(2-hydroxyethoxy)ethyl]urea is sourced from PubChem (CID 22381462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).