N-cyclooctyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide

C17H29N3O3 — CID 18106181

IUPACN-cyclooctyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCC1(C)NC(=O)N(CCCC(=O)NC2CCCCCCC2)C1=O
InChIInChI=1S/C17H29N3O3/c1-17(2)15(22)20(16(23)19-17)12-8-11-14(21)18-13-9-6-4-3-5-7-10-13/h13H,3-12H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyCNVUSNUEVIXYLP-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.33
Rot. Bonds5

About N-cyclooctyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide

N-cyclooctyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide (PubChem CID 18106181) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-cyclooctyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-cyclooctyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide
PubChem CID18106181
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC NameN-cyclooctyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCC1(C)NC(=O)N(CCCC(=O)NC2CCCCCCC2)C1=O
InChIInChI=1S/C17H29N3O3/c1-17(2)15(22)20(16(23)19-17)12-8-11-14(21)18-13-9-6-4-3-5-7-10-13/h13H,3-12H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyCNVUSNUEVIXYLP-UHFFFAOYSA-N
XLogP2.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
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 N-cyclooctyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The IUPAC name of N-cyclooctyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide (CID 18106181) is N-cyclooctyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide.
What is the SMILES notation for N-cyclooctyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The canonical SMILES for N-cyclooctyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide is CC1(C)NC(=O)N(CCCC(=O)NC2CCCCCCC2)C1=O.
What is the InChIKey of N-cyclooctyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The InChIKey is CNVUSNUEVIXYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-17(2)15(22)20(16(23)19-17)12-8-11-14(21)18-13-9-6-4-3-5-7-10-13/h13H,3-12H2,1-2H3,(H,18,21)(H,19,23).
What are the key properties of N-cyclooctyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide?
N-cyclooctyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide has a molecular weight of 323.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide is sourced from PubChem (CID 18106181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).