1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea

C13H20N2O5 — CID 21422545

IUPAC1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea
SMILESO=C(N(CC1CO1)CC1CO1)N(CC1CO1)CC1CO1
InChIInChI=1S/C13H20N2O5/c16-13(14(1-9-5-17-9)2-10-6-18-10)15(3-11-7-19-11)4-12-8-20-12/h9-12H,1-8H2
InChIKeyXOQCINMUEFCOPA-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.69
Rot. Bonds8

About 1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea

1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea (PubChem CID 21422545) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea.

Molecular Properties

Compound Name1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea
PubChem CID21422545
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea
SMILESO=C(N(CC1CO1)CC1CO1)N(CC1CO1)CC1CO1
InChIInChI=1S/C13H20N2O5/c16-13(14(1-9-5-17-9)2-10-6-18-10)15(3-11-7-19-11)4-12-8-20-12/h9-12H,1-8H2
InChIKeyXOQCINMUEFCOPA-UHFFFAOYSA-N
XLogP-0.69
TPSA73.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-1-(oxiran-2-ylmethyl)urea
CID 141285145
2-chloro-N,N-bis(oxiran-2-ylmethyl)prop-2-enamide
CID 88735319
N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)but-2-enamide
CID 173404632
2-[bis(oxiran-2-ylmethyl)amino]acetic acid
CID 19695060
methyl(oxiran-2-ylmethyl)carbamic acid
CID 87093362
2-methyl-N-octadecyl-N-(oxiran-2-ylmethyl)propanamide
CID 88735263
2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)but-2-enamide
CID 173429156
N,N-bis(oxiran-2-ylmethyl)-2-phenylacetamide
CID 88735024
(E)-N,N-bis(oxiran-2-ylmethyl)dec-2-enamide
CID 88736405
benzyl N-ethyl-N-[[(2R)-oxiran-2-yl]methyl]carbamate
CID 88573099
1,1,2-tris(oxiran-2-ylmethyl)guanidine
CID 175551525
N,N-bis(oxiran-2-ylmethyl)-3-phenylprop-2-enamide
CID 154477095

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea?
The IUPAC name of 1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea (CID 21422545) is 1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea.
What is the SMILES notation for 1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea?
The canonical SMILES for 1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea is O=C(N(CC1CO1)CC1CO1)N(CC1CO1)CC1CO1.
What is the InChIKey of 1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea?
The InChIKey is XOQCINMUEFCOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c16-13(14(1-9-5-17-9)2-10-6-18-10)15(3-11-7-19-11)4-12-8-20-12/h9-12H,1-8H2.
What are the key properties of 1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea?
1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea has a molecular weight of 284.31 g/mol, XLogP of -0.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea is sourced from PubChem (CID 21422545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).