1-ethyl-3-[2-[2-(methylamino)ethoxy]ethyl]urea

C8H19N3O2 — CID 22381146

IUPAC1-ethyl-3-[2-[2-(methylamino)ethoxy]ethyl]urea
SMILESCCNC(=O)NCCOCCNC
InChIInChI=1S/C8H19N3O2/c1-3-10-8(12)11-5-7-13-6-4-9-2/h9H,3-7H2,1-2H3,(H2,10,11,12)
InChIKeyQKJWIKLGQJNFFO-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.46
Rot. Bonds7

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

1-ethyl-3-[2-[2-(methylamino)ethoxy]ethyl]urea (PubChem CID 22381146) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-ethyl-3-[2-[2-(methylamino)ethoxy]ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-[2-(methylamino)ethoxy]ethyl]urea
PubChem CID22381146
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name1-ethyl-3-[2-[2-(methylamino)ethoxy]ethyl]urea
SMILESCCNC(=O)NCCOCCNC
InChIInChI=1S/C8H19N3O2/c1-3-10-8(12)11-5-7-13-6-4-9-2/h9H,3-7H2,1-2H3,(H2,10,11,12)
InChIKeyQKJWIKLGQJNFFO-UHFFFAOYSA-N
XLogP-0.46
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.46
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-ethyl-3-[2-[2-(methylamino)ethoxy]ethyl]urea?
The IUPAC name of 1-ethyl-3-[2-[2-(methylamino)ethoxy]ethyl]urea (CID 22381146) is 1-ethyl-3-[2-[2-(methylamino)ethoxy]ethyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-[2-(methylamino)ethoxy]ethyl]urea?
The canonical SMILES for 1-ethyl-3-[2-[2-(methylamino)ethoxy]ethyl]urea is CCNC(=O)NCCOCCNC.
What is the InChIKey of 1-ethyl-3-[2-[2-(methylamino)ethoxy]ethyl]urea?
The InChIKey is QKJWIKLGQJNFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-3-10-8(12)11-5-7-13-6-4-9-2/h9H,3-7H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-ethyl-3-[2-[2-(methylamino)ethoxy]ethyl]urea?
1-ethyl-3-[2-[2-(methylamino)ethoxy]ethyl]urea has a molecular weight of 189.26 g/mol, XLogP of -0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[2-(methylamino)ethoxy]ethyl]urea is sourced from PubChem (CID 22381146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).