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

C11H25N3O3 — CID 22381130

IUPAC1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea
SMILESCCNCCOCCOCCNC(=O)NCC
InChIInChI=1S/C11H25N3O3/c1-3-12-5-7-16-9-10-17-8-6-14-11(15)13-4-2/h12H,3-10H2,1-2H3,(H2,13,14,15)
InChIKeyHRNVWNWXBFCDSN-UHFFFAOYSA-N
MW247.34 g/mol
LogP-0.05
Rot. Bonds11

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

1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea (PubChem CID 22381130) has the molecular formula C11H25N3O3 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea
PubChem CID22381130
Molecular FormulaC11H25N3O3
Molecular Weight247.34 g/mol
Exact Mass247.19
IUPAC Name1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea
SMILESCCNCCOCCOCCNC(=O)NCC
InChIInChI=1S/C11H25N3O3/c1-3-12-5-7-16-9-10-17-8-6-14-11(15)13-4-2/h12H,3-10H2,1-2H3,(H2,13,14,15)
InChIKeyHRNVWNWXBFCDSN-UHFFFAOYSA-N
XLogP-0.05
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 5-0.05
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-(ethylamino)ethoxy]ethoxy]ethyl]urea?
The IUPAC name of 1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea (CID 22381130) is 1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea?
The canonical SMILES for 1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea is CCNCCOCCOCCNC(=O)NCC.
What is the InChIKey of 1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea?
The InChIKey is HRNVWNWXBFCDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3/c1-3-12-5-7-16-9-10-17-8-6-14-11(15)13-4-2/h12H,3-10H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea?
1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea has a molecular weight of 247.34 g/mol, XLogP of -0.05, 11 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-(ethylamino)ethoxy]ethoxy]ethyl]urea is sourced from PubChem (CID 22381130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).