2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-propan-2-ylamino]acetamide

C13H24N4O3 — CID 47280249

IUPAC2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CCCN1C(=O)NC(C)(C)C1=O)CC(N)=O
InChIInChI=1S/C13H24N4O3/c1-9(2)16(8-10(14)18)6-5-7-17-11(19)13(3,4)15-12(17)20/h9H,5-8H2,1-4H3,(H2,14,18)(H,15,20)
InChIKeyVGOFRMXISPVRGE-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.10
Rot. Bonds7

About 2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-propan-2-ylamino]acetamide

2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-propan-2-ylamino]acetamide (PubChem CID 47280249) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-propan-2-ylamino]acetamide
PubChem CID47280249
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CCCN1C(=O)NC(C)(C)C1=O)CC(N)=O
InChIInChI=1S/C13H24N4O3/c1-9(2)16(8-10(14)18)6-5-7-17-11(19)13(3,4)15-12(17)20/h9H,5-8H2,1-4H3,(H2,14,18)(H,15,20)
InChIKeyVGOFRMXISPVRGE-UHFFFAOYSA-N
XLogP-0.10
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.10
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 2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-propan-2-ylamino]acetamide (CID 47280249) is 2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-propan-2-ylamino]acetamide is CC(C)N(CCCN1C(=O)NC(C)(C)C1=O)CC(N)=O.
What is the InChIKey of 2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-propan-2-ylamino]acetamide?
The InChIKey is VGOFRMXISPVRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-9(2)16(8-10(14)18)6-5-7-17-11(19)13(3,4)15-12(17)20/h9H,5-8H2,1-4H3,(H2,14,18)(H,15,20).
What are the key properties of 2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-propan-2-ylamino]acetamide?
2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-propan-2-ylamino]acetamide has a molecular weight of 284.36 g/mol, XLogP of -0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 47280249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).