2-methylbutane;N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]formamide

C14H27N3O3 — CID 176553165

IUPAC2-methylbutane;N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]formamide
SMILESCC(C)(CC1(C)NC(=O)NC1=O)NC=O.CCC(C)C
InChIInChI=1S/C9H15N3O3.C5H12/c1-8(2,10-5-13)4-9(3)6(14)11-7(15)12-9;1-4-5(2)3/h5H,4H2,1-3H3,(H,10,13)(H2,11,12,14,15);5H,4H2,1-3H3
InChIKeyZCHTUEODICVAEX-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.55
Rot. Bonds5

About 2-methylbutane;N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]formamide

2-methylbutane;N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]formamide (PubChem CID 176553165) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methylbutane;N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]formamide.

Molecular Properties

Compound Name2-methylbutane;N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]formamide
PubChem CID176553165
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-methylbutane;N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]formamide
SMILESCC(C)(CC1(C)NC(=O)NC1=O)NC=O.CCC(C)C
InChIInChI=1S/C9H15N3O3.C5H12/c1-8(2,10-5-13)4-9(3)6(14)11-7(15)12-9;1-4-5(2)3/h5H,4H2,1-3H3,(H,10,13)(H2,11,12,14,15);5H,4H2,1-3H3
InChIKeyZCHTUEODICVAEX-UHFFFAOYSA-N
XLogP1.55
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methylbutane;N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]formamide 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 2-methylbutane;N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]formamide?
The IUPAC name of 2-methylbutane;N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]formamide (CID 176553165) is 2-methylbutane;N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]formamide.
What is the SMILES notation for 2-methylbutane;N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]formamide?
The canonical SMILES for 2-methylbutane;N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]formamide is CC(C)(CC1(C)NC(=O)NC1=O)NC=O.CCC(C)C.
What is the InChIKey of 2-methylbutane;N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]formamide?
The InChIKey is ZCHTUEODICVAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3.C5H12/c1-8(2,10-5-13)4-9(3)6(14)11-7(15)12-9;1-4-5(2)3/h5H,4H2,1-3H3,(H,10,13)(H2,11,12,14,15);5H,4H2,1-3H3.
What are the key properties of 2-methylbutane;N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]formamide?
2-methylbutane;N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]formamide has a molecular weight of 285.39 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane;N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]formamide is sourced from PubChem (CID 176553165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).