1-ethyl-3-[2-(2-methylpropoxy)ethyl]urea

C9H20N2O2 — CID 115588368

IUPAC1-ethyl-3-[2-(2-methylpropoxy)ethyl]urea
SMILESCCNC(=O)NCCOCC(C)C
InChIInChI=1S/C9H20N2O2/c1-4-10-9(12)11-5-6-13-7-8(2)3/h8H,4-7H2,1-3H3,(H2,10,11,12)
InChIKeyFYYDPXKBDGLSPR-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.98
Rot. Bonds6

About 1-ethyl-3-[2-(2-methylpropoxy)ethyl]urea

1-ethyl-3-[2-(2-methylpropoxy)ethyl]urea (PubChem CID 115588368) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-methylpropoxy)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-methylpropoxy)ethyl]urea
PubChem CID115588368
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name1-ethyl-3-[2-(2-methylpropoxy)ethyl]urea
SMILESCCNC(=O)NCCOCC(C)C
InChIInChI=1S/C9H20N2O2/c1-4-10-9(12)11-5-6-13-7-8(2)3/h8H,4-7H2,1-3H3,(H2,10,11,12)
InChIKeyFYYDPXKBDGLSPR-UHFFFAOYSA-N
XLogP0.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methylpropoxy)ethyl]urea?
The IUPAC name of 1-ethyl-3-[2-(2-methylpropoxy)ethyl]urea (CID 115588368) is 1-ethyl-3-[2-(2-methylpropoxy)ethyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-(2-methylpropoxy)ethyl]urea?
The canonical SMILES for 1-ethyl-3-[2-(2-methylpropoxy)ethyl]urea is CCNC(=O)NCCOCC(C)C.
What is the InChIKey of 1-ethyl-3-[2-(2-methylpropoxy)ethyl]urea?
The InChIKey is FYYDPXKBDGLSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-10-9(12)11-5-6-13-7-8(2)3/h8H,4-7H2,1-3H3,(H2,10,11,12).
What are the key properties of 1-ethyl-3-[2-(2-methylpropoxy)ethyl]urea?
1-ethyl-3-[2-(2-methylpropoxy)ethyl]urea has a molecular weight of 188.27 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-methylpropoxy)ethyl]urea is sourced from PubChem (CID 115588368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).