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

C11H25N3O2 — CID 22381219

IUPAC1-butyl-3-[2-[2-(ethylamino)ethoxy]ethyl]urea
SMILESCCCCNC(=O)NCCOCCNCC
InChIInChI=1S/C11H25N3O2/c1-3-5-6-13-11(15)14-8-10-16-9-7-12-4-2/h12H,3-10H2,1-2H3,(H2,13,14,15)
InChIKeyKUSUQJXQGZQPRP-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.71
Rot. Bonds10

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

1-butyl-3-[2-[2-(ethylamino)ethoxy]ethyl]urea (PubChem CID 22381219) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-butyl-3-[2-[2-(ethylamino)ethoxy]ethyl]urea.

Molecular Properties

Compound Name1-butyl-3-[2-[2-(ethylamino)ethoxy]ethyl]urea
PubChem CID22381219
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name1-butyl-3-[2-[2-(ethylamino)ethoxy]ethyl]urea
SMILESCCCCNC(=O)NCCOCCNCC
InChIInChI=1S/C11H25N3O2/c1-3-5-6-13-11(15)14-8-10-16-9-7-12-4-2/h12H,3-10H2,1-2H3,(H2,13,14,15)
InChIKeyKUSUQJXQGZQPRP-UHFFFAOYSA-N
XLogP0.71
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-butyl-3-[2-[2-(ethylamino)ethoxy]ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[2-[2-(ethylamino)ethoxy]ethyl]urea?
The IUPAC name of 1-butyl-3-[2-[2-(ethylamino)ethoxy]ethyl]urea (CID 22381219) is 1-butyl-3-[2-[2-(ethylamino)ethoxy]ethyl]urea.
What is the SMILES notation for 1-butyl-3-[2-[2-(ethylamino)ethoxy]ethyl]urea?
The canonical SMILES for 1-butyl-3-[2-[2-(ethylamino)ethoxy]ethyl]urea is CCCCNC(=O)NCCOCCNCC.
What is the InChIKey of 1-butyl-3-[2-[2-(ethylamino)ethoxy]ethyl]urea?
The InChIKey is KUSUQJXQGZQPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-3-5-6-13-11(15)14-8-10-16-9-7-12-4-2/h12H,3-10H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-butyl-3-[2-[2-(ethylamino)ethoxy]ethyl]urea?
1-butyl-3-[2-[2-(ethylamino)ethoxy]ethyl]urea has a molecular weight of 231.34 g/mol, XLogP of 0.71, 10 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-(ethylamino)ethoxy]ethyl]urea is sourced from PubChem (CID 22381219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).