2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide

C17H23N3O3 — CID 7181954

IUPAC2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1ccc(C)cc1
InChIInChI=1S/C17H23N3O3/c1-5-13(12-8-6-11(2)7-9-12)18-14(21)10-20-15(22)17(3,4)19-16(20)23/h6-9,13H,5,10H2,1-4H3,(H,18,21)(H,19,23)/t13-/m1/s1
InChIKeyKUEWHNZOGGUHGI-CYBMUJFWSA-N
MW317.39 g/mol
LogP1.89
Rot. Bonds5

About 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide (PubChem CID 7181954) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
PubChem CID7181954
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1ccc(C)cc1
InChIInChI=1S/C17H23N3O3/c1-5-13(12-8-6-11(2)7-9-12)18-14(21)10-20-15(22)17(3,4)19-16(20)23/h6-9,13H,5,10H2,1-4H3,(H,18,21)(H,19,23)/t13-/m1/s1
InChIKeyKUEWHNZOGGUHGI-CYBMUJFWSA-N
XLogP1.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.89
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 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide (CID 7181954) is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide is CC[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1ccc(C)cc1.
What is the InChIKey of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The InChIKey is KUEWHNZOGGUHGI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-5-13(12-8-6-11(2)7-9-12)18-14(21)10-20-15(22)17(3,4)19-16(20)23/h6-9,13H,5,10H2,1-4H3,(H,18,21)(H,19,23)/t13-/m1/s1.
What are the key properties of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 7181954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).