1,3-bis[2-(2-ethoxyethoxy)ethyl]-1-ethylurea

C15H32N2O5 — CID 91378607

IUPAC1,3-bis[2-(2-ethoxyethoxy)ethyl]-1-ethylurea
SMILESCCOCCOCCNC(=O)N(CC)CCOCCOCC
InChIInChI=1S/C15H32N2O5/c1-4-17(8-10-22-14-12-20-6-3)15(18)16-7-9-21-13-11-19-5-2/h4-14H2,1-3H3,(H,16,18)
InChIKeyJMHKJOYTTSJVQM-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.12
Rot. Bonds15

About 1,3-bis[2-(2-ethoxyethoxy)ethyl]-1-ethylurea

1,3-bis[2-(2-ethoxyethoxy)ethyl]-1-ethylurea (PubChem CID 91378607) has the molecular formula C15H32N2O5 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1,3-bis[2-(2-ethoxyethoxy)ethyl]-1-ethylurea.

Molecular Properties

Compound Name1,3-bis[2-(2-ethoxyethoxy)ethyl]-1-ethylurea
PubChem CID91378607
Molecular FormulaC15H32N2O5
Molecular Weight320.43 g/mol
Exact Mass320.23
IUPAC Name1,3-bis[2-(2-ethoxyethoxy)ethyl]-1-ethylurea
SMILESCCOCCOCCNC(=O)N(CC)CCOCCOCC
InChIInChI=1S/C15H32N2O5/c1-4-17(8-10-22-14-12-20-6-3)15(18)16-7-9-21-13-11-19-5-2/h4-14H2,1-3H3,(H,16,18)
InChIKeyJMHKJOYTTSJVQM-UHFFFAOYSA-N
XLogP1.12
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1,3-bis[2-(2-ethoxyethoxy)ethyl]-1-ethylurea?
The IUPAC name of 1,3-bis[2-(2-ethoxyethoxy)ethyl]-1-ethylurea (CID 91378607) is 1,3-bis[2-(2-ethoxyethoxy)ethyl]-1-ethylurea.
What is the SMILES notation for 1,3-bis[2-(2-ethoxyethoxy)ethyl]-1-ethylurea?
The canonical SMILES for 1,3-bis[2-(2-ethoxyethoxy)ethyl]-1-ethylurea is CCOCCOCCNC(=O)N(CC)CCOCCOCC.
What is the InChIKey of 1,3-bis[2-(2-ethoxyethoxy)ethyl]-1-ethylurea?
The InChIKey is JMHKJOYTTSJVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O5/c1-4-17(8-10-22-14-12-20-6-3)15(18)16-7-9-21-13-11-19-5-2/h4-14H2,1-3H3,(H,16,18).
What are the key properties of 1,3-bis[2-(2-ethoxyethoxy)ethyl]-1-ethylurea?
1,3-bis[2-(2-ethoxyethoxy)ethyl]-1-ethylurea has a molecular weight of 320.43 g/mol, XLogP of 1.12, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(2-ethoxyethoxy)ethyl]-1-ethylurea is sourced from PubChem (CID 91378607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).