1,3-bis[2-(oxiran-2-ylmethoxy)ethyl]urea

C11H20N2O5 — CID 89261056

IUPAC1,3-bis[2-(oxiran-2-ylmethoxy)ethyl]urea
SMILESO=C(NCCOCC1CO1)NCCOCC1CO1
InChIInChI=1S/C11H20N2O5/c14-11(12-1-3-15-5-9-7-17-9)13-2-4-16-6-10-8-18-10/h9-10H,1-8H2,(H2,12,13,14)
InChIKeyHRMYEOOFQBFNSO-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.88
Rot. Bonds10

About 1,3-bis[2-(oxiran-2-ylmethoxy)ethyl]urea

1,3-bis[2-(oxiran-2-ylmethoxy)ethyl]urea (PubChem CID 89261056) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1,3-bis[2-(oxiran-2-ylmethoxy)ethyl]urea.

Molecular Properties

Compound Name1,3-bis[2-(oxiran-2-ylmethoxy)ethyl]urea
PubChem CID89261056
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name1,3-bis[2-(oxiran-2-ylmethoxy)ethyl]urea
SMILESO=C(NCCOCC1CO1)NCCOCC1CO1
InChIInChI=1S/C11H20N2O5/c14-11(12-1-3-15-5-9-7-17-9)13-2-4-16-6-10-8-18-10/h9-10H,1-8H2,(H2,12,13,14)
InChIKeyHRMYEOOFQBFNSO-UHFFFAOYSA-N
XLogP-0.88
TPSA84.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid
CID 137319794
2-methyl-N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide
CID 140901902
N,N'-bis[4-(oxiran-2-ylmethoxy)butyl]nonanediamide
CID 88622123
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide
CID 18188386
oxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate
CID 6454894
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 90384181
bis[2-(oxiran-2-ylmethoxy)ethyl] (Z)-but-2-enedioate
CID 88755301
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
[acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate
CID 22292670

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(oxiran-2-ylmethoxy)ethyl]urea?
The IUPAC name of 1,3-bis[2-(oxiran-2-ylmethoxy)ethyl]urea (CID 89261056) is 1,3-bis[2-(oxiran-2-ylmethoxy)ethyl]urea.
What is the SMILES notation for 1,3-bis[2-(oxiran-2-ylmethoxy)ethyl]urea?
The canonical SMILES for 1,3-bis[2-(oxiran-2-ylmethoxy)ethyl]urea is O=C(NCCOCC1CO1)NCCOCC1CO1.
What is the InChIKey of 1,3-bis[2-(oxiran-2-ylmethoxy)ethyl]urea?
The InChIKey is HRMYEOOFQBFNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c14-11(12-1-3-15-5-9-7-17-9)13-2-4-16-6-10-8-18-10/h9-10H,1-8H2,(H2,12,13,14).
What are the key properties of 1,3-bis[2-(oxiran-2-ylmethoxy)ethyl]urea?
1,3-bis[2-(oxiran-2-ylmethoxy)ethyl]urea has a molecular weight of 260.29 g/mol, XLogP of -0.88, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(oxiran-2-ylmethoxy)ethyl]urea is sourced from PubChem (CID 89261056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).