4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide

C12H21N3O4 — CID 82725201

IUPAC4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide
SMILESCN1CC(=O)N(CCCC(=O)NOC(C)(C)C)C1=O
InChIInChI=1S/C12H21N3O4/c1-12(2,3)19-13-9(16)6-5-7-15-10(17)8-14(4)11(15)18/h5-8H2,1-4H3,(H,13,16)
InChIKeyGKYQASXQFOGUES-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.51
Rot. Bonds5

About 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide

4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide (PubChem CID 82725201) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide.

Molecular Properties

Compound Name4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide
PubChem CID82725201
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide
SMILESCN1CC(=O)N(CCCC(=O)NOC(C)(C)C)C1=O
InChIInChI=1S/C12H21N3O4/c1-12(2,3)19-13-9(16)6-5-7-15-10(17)8-14(4)11(15)18/h5-8H2,1-4H3,(H,13,16)
InChIKeyGKYQASXQFOGUES-UHFFFAOYSA-N
XLogP0.51
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)butanamide
CID 81339845
N-(2-amino-2-oxoethoxy)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 112550669
N-cyano-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 79194682
N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 104857752
N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 8777093
3-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]butanoic acid
CID 43360769
1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione
CID 106801687
N-(3-hydroxy-2-methylpropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 65032246
N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 9207191
N-(4-amino-3,5-dichlorophenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18208015
N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 78814409
N'-[2-(4-methoxyphenyl)acetyl]-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanehydrazide
CID 166452026

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide?
The IUPAC name of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide (CID 82725201) is 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide.
What is the SMILES notation for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide?
The canonical SMILES for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide is CN1CC(=O)N(CCCC(=O)NOC(C)(C)C)C1=O.
What is the InChIKey of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide?
The InChIKey is GKYQASXQFOGUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-12(2,3)19-13-9(16)6-5-7-15-10(17)8-14(4)11(15)18/h5-8H2,1-4H3,(H,13,16).
What are the key properties of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide?
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide has a molecular weight of 271.32 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide is sourced from PubChem (CID 82725201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).