N-(3-hydroxy-2-methylpropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide

C12H21N3O4 — CID 65032246

IUPACN-(3-hydroxy-2-methylpropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCC(CO)CNC(=O)CCCN1C(=O)CN(C)C1=O
InChIInChI=1S/C12H21N3O4/c1-9(8-16)6-13-10(17)4-3-5-15-11(18)7-14(2)12(15)19/h9,16H,3-8H2,1-2H3,(H,13,17)
InChIKeyMGBCVHLFSANUSO-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.59
Rot. Bonds7

About N-(3-hydroxy-2-methylpropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide

N-(3-hydroxy-2-methylpropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (PubChem CID 65032246) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
PubChem CID65032246
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC NameN-(3-hydroxy-2-methylpropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCC(CO)CNC(=O)CCCN1C(=O)CN(C)C1=O
InChIInChI=1S/C12H21N3O4/c1-9(8-16)6-13-10(17)4-3-5-15-11(18)7-14(2)12(15)19/h9,16H,3-8H2,1-2H3,(H,13,17)
InChIKeyMGBCVHLFSANUSO-UHFFFAOYSA-N
XLogP-0.59
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (CID 65032246) is N-(3-hydroxy-2-methylpropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is CC(CO)CNC(=O)CCCN1C(=O)CN(C)C1=O.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The InChIKey is MGBCVHLFSANUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-9(8-16)6-13-10(17)4-3-5-15-11(18)7-14(2)12(15)19/h9,16H,3-8H2,1-2H3,(H,13,17).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
N-(3-hydroxy-2-methylpropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide has a molecular weight of 271.32 g/mol, XLogP of -0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is sourced from PubChem (CID 65032246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).