N-tert-butyl-2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)acetamide

C12H22N4O2 — CID 138390406

IUPACN-tert-butyl-2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)acetamide
SMILES[H]/N=C1\NC(=O)N(C(C)C)C1CC(=O)NC(C)(C)C
InChIInChI=1S/C12H22N4O2/c1-7(2)16-8(10(13)14-11(16)18)6-9(17)15-12(3,4)5/h7-8H,6H2,1-5H3,(H,15,17)(H2,13,14,18)
InChIKeyNBYWFTHIWAWGCJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.07
Rot. Bonds3

About N-tert-butyl-2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)acetamide

N-tert-butyl-2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)acetamide (PubChem CID 138390406) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-tert-butyl-2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)acetamide
PubChem CID138390406
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-tert-butyl-2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)acetamide
SMILES[H]/N=C1\NC(=O)N(C(C)C)C1CC(=O)NC(C)(C)C
InChIInChI=1S/C12H22N4O2/c1-7(2)16-8(10(13)14-11(16)18)6-9(17)15-12(3,4)5/h7-8H,6H2,1-5H3,(H,15,17)(H2,13,14,18)
InChIKeyNBYWFTHIWAWGCJ-UHFFFAOYSA-N
XLogP1.07
TPSA85.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-tert-butyl-2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)acetamide (CID 138390406) is N-tert-butyl-2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)acetamide is [H]/N=C1\NC(=O)N(C(C)C)C1CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)acetamide?
The InChIKey is NBYWFTHIWAWGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-7(2)16-8(10(13)14-11(16)18)6-9(17)15-12(3,4)5/h7-8H,6H2,1-5H3,(H,15,17)(H2,13,14,18).
What are the key properties of N-tert-butyl-2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)acetamide?
N-tert-butyl-2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)acetamide has a molecular weight of 254.33 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)acetamide is sourced from PubChem (CID 138390406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).