N-cycloheptyl-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

C17H25N3O4 — CID 2661427

IUPACN-cycloheptyl-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NC1CCCCCC1
InChIInChI=1S/C17H25N3O4/c21-14(18-12-7-3-1-2-4-8-12)11-19-15(22)16(23)20(17(19)24)13-9-5-6-10-13/h12-13H,1-11H2,(H,18,21)
InChIKeyWMVUJWZXLLZAPI-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.56
Rot. Bonds4

About N-cycloheptyl-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

N-cycloheptyl-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (PubChem CID 2661427) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-cycloheptyl-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
PubChem CID2661427
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC NameN-cycloheptyl-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NC1CCCCCC1
InChIInChI=1S/C17H25N3O4/c21-14(18-12-7-3-1-2-4-8-12)11-19-15(22)16(23)20(17(19)24)13-9-5-6-10-13/h12-13H,1-11H2,(H,18,21)
InChIKeyWMVUJWZXLLZAPI-UHFFFAOYSA-N
XLogP1.56
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (CID 2661427) is N-cycloheptyl-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The InChIKey is WMVUJWZXLLZAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c21-14(18-12-7-3-1-2-4-8-12)11-19-15(22)16(23)20(17(19)24)13-9-5-6-10-13/h12-13H,1-11H2,(H,18,21).
What are the key properties of N-cycloheptyl-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
N-cycloheptyl-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide has a molecular weight of 335.40 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 2661427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).