1-tert-butyl-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea

C10H18N4O3 — CID 110748123

IUPAC1-tert-butyl-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea
SMILESCC(C)(C)NC(=O)NCCC1NC(=O)NC1=O
InChIInChI=1S/C10H18N4O3/c1-10(2,3)14-8(16)11-5-4-6-7(15)13-9(17)12-6/h6H,4-5H2,1-3H3,(H2,11,14,16)(H2,12,13,15,17)
InChIKeyMFWMELIXUOOTAI-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.32
Rot. Bonds3

About 1-tert-butyl-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea

1-tert-butyl-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea (PubChem CID 110748123) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea
PubChem CID110748123
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name1-tert-butyl-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea
SMILESCC(C)(C)NC(=O)NCCC1NC(=O)NC1=O
InChIInChI=1S/C10H18N4O3/c1-10(2,3)14-8(16)11-5-4-6-7(15)13-9(17)12-6/h6H,4-5H2,1-3H3,(H2,11,14,16)(H2,12,13,15,17)
InChIKeyMFWMELIXUOOTAI-UHFFFAOYSA-N
XLogP-0.32
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea
CID 110748117
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]cyclopentanecarboxamide
CID 110722103
N-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propyl]acetamide
CID 99868106
1-(3-chlorophenyl)-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea
CID 110748119
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-2,6-dimethoxybenzamide
CID 110722124
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]thiophene-2-carboxamide
CID 110722106
5-propylimidazolidine-2,4-dione
CID 567619
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-methoxybenzamide
CID 110722120
(5R)-5-butylimidazolidine-2,4-dione
CID 51416195
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110722163
(5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione
CID 7000133
3-(2,5-dioxoimidazolidin-4-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 51073460

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea?
The IUPAC name of 1-tert-butyl-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea (CID 110748123) is 1-tert-butyl-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea?
The canonical SMILES for 1-tert-butyl-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea is CC(C)(C)NC(=O)NCCC1NC(=O)NC1=O.
What is the InChIKey of 1-tert-butyl-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea?
The InChIKey is MFWMELIXUOOTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-10(2,3)14-8(16)11-5-4-6-7(15)13-9(17)12-6/h6H,4-5H2,1-3H3,(H2,11,14,16)(H2,12,13,15,17).
What are the key properties of 1-tert-butyl-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea?
1-tert-butyl-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea has a molecular weight of 242.28 g/mol, XLogP of -0.32, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea is sourced from PubChem (CID 110748123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).