2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide

C13H21N3O3 — CID 87022541

IUPAC2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN1C(=O)CN(C2CC2)C1=O
InChIInChI=1S/C13H21N3O3/c1-8(2)9(3)14-11(17)6-16-12(18)7-15(13(16)19)10-4-5-10/h8-10H,4-7H2,1-3H3,(H,14,17)
InChIKeyHHHHEDKXLVUKHP-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.57
Rot. Bonds5

About 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide

2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 87022541) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
PubChem CID87022541
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN1C(=O)CN(C2CC2)C1=O
InChIInChI=1S/C13H21N3O3/c1-8(2)9(3)14-11(17)6-16-12(18)7-15(13(16)19)10-4-5-10/h8-10H,4-7H2,1-3H3,(H,14,17)
InChIKeyHHHHEDKXLVUKHP-UHFFFAOYSA-N
XLogP0.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide (CID 87022541) is 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CN1C(=O)CN(C2CC2)C1=O.
What is the InChIKey of 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is HHHHEDKXLVUKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8(2)9(3)14-11(17)6-16-12(18)7-15(13(16)19)10-4-5-10/h8-10H,4-7H2,1-3H3,(H,14,17).
What are the key properties of 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 87022541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).