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

C10H23N3O3 — CID 22381175

IUPAC1-ethyl-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]urea
SMILESCCNC(=O)NCCOCCOCCNC
InChIInChI=1S/C10H23N3O3/c1-3-12-10(14)13-5-7-16-9-8-15-6-4-11-2/h11H,3-9H2,1-2H3,(H2,12,13,14)
InChIKeySBEHETAIIJDXGC-UHFFFAOYSA-N
MW233.31 g/mol
LogP-0.44
Rot. Bonds10

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

1-ethyl-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]urea (PubChem CID 22381175) has the molecular formula C10H23N3O3 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-ethyl-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]urea
PubChem CID22381175
Molecular FormulaC10H23N3O3
Molecular Weight233.31 g/mol
Exact Mass233.17
IUPAC Name1-ethyl-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]urea
SMILESCCNC(=O)NCCOCCOCCNC
InChIInChI=1S/C10H23N3O3/c1-3-12-10(14)13-5-7-16-9-8-15-6-4-11-2/h11H,3-9H2,1-2H3,(H2,12,13,14)
InChIKeySBEHETAIIJDXGC-UHFFFAOYSA-N
XLogP-0.44
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-0.44
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-ethyl-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]urea?
The IUPAC name of 1-ethyl-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]urea (CID 22381175) is 1-ethyl-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]urea?
The canonical SMILES for 1-ethyl-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]urea is CCNC(=O)NCCOCCOCCNC.
What is the InChIKey of 1-ethyl-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]urea?
The InChIKey is SBEHETAIIJDXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3/c1-3-12-10(14)13-5-7-16-9-8-15-6-4-11-2/h11H,3-9H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-ethyl-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]urea?
1-ethyl-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]urea has a molecular weight of 233.31 g/mol, XLogP of -0.44, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]urea is sourced from PubChem (CID 22381175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).