1-(2,2-dimethylpropyl)-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea

C11H20N4O3 — CID 110747884

IUPAC1-(2,2-dimethylpropyl)-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea
SMILESCC(C)(C)CNC(=O)NCCN1C(=O)CNC1=O
InChIInChI=1S/C11H20N4O3/c1-11(2,3)7-14-9(17)12-4-5-15-8(16)6-13-10(15)18/h4-7H2,1-3H3,(H,13,18)(H2,12,14,17)
InChIKeySWVGFICUSYLBJS-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.12
Rot. Bonds4

About 1-(2,2-dimethylpropyl)-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea

1-(2,2-dimethylpropyl)-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea (PubChem CID 110747884) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea
PubChem CID110747884
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name1-(2,2-dimethylpropyl)-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea
SMILESCC(C)(C)CNC(=O)NCCN1C(=O)CNC1=O
InChIInChI=1S/C11H20N4O3/c1-11(2,3)7-14-9(17)12-4-5-15-8(16)6-13-10(15)18/h4-7H2,1-3H3,(H,13,18)(H2,12,14,17)
InChIKeySWVGFICUSYLBJS-UHFFFAOYSA-N
XLogP-0.12
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 110719069
1-cyclohexyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea
CID 110747875
methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]-4-oxobutanoate
CID 110719068
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110719140
1-(2,2-dimethylpropyl)-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea
CID 110746783
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-phenylacetamide
CID 110719095
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzamide
CID 110719076
1-cyclopropyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine
CID 111123536
2-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]acetamide
CID 110719097
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110719111
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide
CID 111829030
2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine
CID 111812527

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea (CID 110747884) is 1-(2,2-dimethylpropyl)-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea is CC(C)(C)CNC(=O)NCCN1C(=O)CNC1=O.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea?
The InChIKey is SWVGFICUSYLBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-11(2,3)7-14-9(17)12-4-5-15-8(16)6-13-10(15)18/h4-7H2,1-3H3,(H,13,18)(H2,12,14,17).
What are the key properties of 1-(2,2-dimethylpropyl)-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea?
1-(2,2-dimethylpropyl)-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea has a molecular weight of 256.31 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea is sourced from PubChem (CID 110747884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).