1-ethyl-3-[3-[3-(ethylamino)propoxy]propyl]urea

C11H25N3O2 — CID 22381211

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

About 1-ethyl-3-[3-[3-(ethylamino)propoxy]propyl]urea

1-ethyl-3-[3-[3-(ethylamino)propoxy]propyl]urea (PubChem CID 22381211) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-ethyl-3-[3-[3-(ethylamino)propoxy]propyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-[3-(ethylamino)propoxy]propyl]urea
PubChem CID22381211
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name1-ethyl-3-[3-[3-(ethylamino)propoxy]propyl]urea
SMILESCCNCCCOCCCNC(=O)NCC
InChIInChI=1S/C11H25N3O2/c1-3-12-7-5-9-16-10-6-8-14-11(15)13-4-2/h12H,3-10H2,1-2H3,(H2,13,14,15)
InChIKeyNAQCDTKZZHBLED-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[3-(ethylamino)propoxy]propyl]urea?
The IUPAC name of 1-ethyl-3-[3-[3-(ethylamino)propoxy]propyl]urea (CID 22381211) is 1-ethyl-3-[3-[3-(ethylamino)propoxy]propyl]urea.
What is the SMILES notation for 1-ethyl-3-[3-[3-(ethylamino)propoxy]propyl]urea?
The canonical SMILES for 1-ethyl-3-[3-[3-(ethylamino)propoxy]propyl]urea is CCNCCCOCCCNC(=O)NCC.
What is the InChIKey of 1-ethyl-3-[3-[3-(ethylamino)propoxy]propyl]urea?
The InChIKey is NAQCDTKZZHBLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-3-12-7-5-9-16-10-6-8-14-11(15)13-4-2/h12H,3-10H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-ethyl-3-[3-[3-(ethylamino)propoxy]propyl]urea?
1-ethyl-3-[3-[3-(ethylamino)propoxy]propyl]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-ethyl-3-[3-[3-(ethylamino)propoxy]propyl]urea is sourced from PubChem (CID 22381211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).