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

C13H23N3O4 — CID 115735166

IUPACN-(1-hydroxypentan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCCC(CCO)NC(=O)CCCN1C(=O)CN(C)C1=O
InChIInChI=1S/C13H23N3O4/c1-3-10(6-8-17)14-11(18)5-4-7-16-12(19)9-15(2)13(16)20/h10,17H,3-9H2,1-2H3,(H,14,18)
InChIKeyDSESPMXQULWOAH-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.06
Rot. Bonds8

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

N-(1-hydroxypentan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (PubChem CID 115735166) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
PubChem CID115735166
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC NameN-(1-hydroxypentan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCCC(CCO)NC(=O)CCCN1C(=O)CN(C)C1=O
InChIInChI=1S/C13H23N3O4/c1-3-10(6-8-17)14-11(18)5-4-7-16-12(19)9-15(2)13(16)20/h10,17H,3-9H2,1-2H3,(H,14,18)
InChIKeyDSESPMXQULWOAH-UHFFFAOYSA-N
XLogP-0.06
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.06
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-(1-hydroxypentan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (CID 115735166) is N-(1-hydroxypentan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is CCC(CCO)NC(=O)CCCN1C(=O)CN(C)C1=O.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The InChIKey is DSESPMXQULWOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-3-10(6-8-17)14-11(18)5-4-7-16-12(19)9-15(2)13(16)20/h10,17H,3-9H2,1-2H3,(H,14,18).
What are the key properties of N-(1-hydroxypentan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
N-(1-hydroxypentan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide has a molecular weight of 285.34 g/mol, XLogP of -0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is sourced from PubChem (CID 115735166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).