1-ethyl-1-[2-(oxiran-2-ylmethoxy)ethyl]urea

C8H16N2O3 — CID 151140940

IUPAC1-ethyl-1-[2-(oxiran-2-ylmethoxy)ethyl]urea
SMILESCCN(CCOCC1CO1)C(N)=O
InChIInChI=1S/C8H16N2O3/c1-2-10(8(9)11)3-4-12-5-7-6-13-7/h7H,2-6H2,1H3,(H2,9,11)
InChIKeyMWEOTDKSYULEKI-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.20
Rot. Bonds6

About 1-ethyl-1-[2-(oxiran-2-ylmethoxy)ethyl]urea

1-ethyl-1-[2-(oxiran-2-ylmethoxy)ethyl]urea (PubChem CID 151140940) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-ethyl-1-[2-(oxiran-2-ylmethoxy)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-1-[2-(oxiran-2-ylmethoxy)ethyl]urea
PubChem CID151140940
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name1-ethyl-1-[2-(oxiran-2-ylmethoxy)ethyl]urea
SMILESCCN(CCOCC1CO1)C(N)=O
InChIInChI=1S/C8H16N2O3/c1-2-10(8(9)11)3-4-12-5-7-6-13-7/h7H,2-6H2,1H3,(H2,9,11)
InChIKeyMWEOTDKSYULEKI-UHFFFAOYSA-N
XLogP-0.20
TPSA68.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-1-(oxiran-2-ylmethyl)urea
CID 141285145
2-(propoxymethyl)oxirane
CID 18406
1,3-bis[2-(oxiran-2-ylmethoxy)ethyl]urea
CID 89261056
oxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate
CID 6454894
2-(oxiran-2-ylmethoxy)ethyl 2,2-dimethylbutanoate
CID 21349115
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 90384181
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
N,N',N'-tris[4-(oxiran-2-ylmethoxy)butyl]propanehydrazide
CID 88621823
ethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate
CID 87376447
bis[2-(oxiran-2-ylmethoxy)ethyl] (Z)-but-2-enedioate
CID 88755301
3-(oxiran-2-ylmethoxy)propyl 2-methylbutanoate
CID 164730265
2-(oxiran-2-ylmethoxy)ethyl 2-bromo-2-methylpropanoate
CID 122573053

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[2-(oxiran-2-ylmethoxy)ethyl]urea?
The IUPAC name of 1-ethyl-1-[2-(oxiran-2-ylmethoxy)ethyl]urea (CID 151140940) is 1-ethyl-1-[2-(oxiran-2-ylmethoxy)ethyl]urea.
What is the SMILES notation for 1-ethyl-1-[2-(oxiran-2-ylmethoxy)ethyl]urea?
The canonical SMILES for 1-ethyl-1-[2-(oxiran-2-ylmethoxy)ethyl]urea is CCN(CCOCC1CO1)C(N)=O.
What is the InChIKey of 1-ethyl-1-[2-(oxiran-2-ylmethoxy)ethyl]urea?
The InChIKey is MWEOTDKSYULEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-2-10(8(9)11)3-4-12-5-7-6-13-7/h7H,2-6H2,1H3,(H2,9,11).
What are the key properties of 1-ethyl-1-[2-(oxiran-2-ylmethoxy)ethyl]urea?
1-ethyl-1-[2-(oxiran-2-ylmethoxy)ethyl]urea has a molecular weight of 188.23 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[2-(oxiran-2-ylmethoxy)ethyl]urea is sourced from PubChem (CID 151140940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).