3-[(1R)-2,2-dimethyl-1-phenylpropyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione

C17H24N2O3 — CID 100677182

IUPAC3-[(1R)-2,2-dimethyl-1-phenylpropyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1CC(=O)N([C@@H](c2ccccc2)C(C)(C)C)C1=O
InChIInChI=1S/C17H24N2O3/c1-17(2,3)15(13-8-6-5-7-9-13)19-14(20)12-18(16(19)21)10-11-22-4/h5-9,15H,10-12H2,1-4H3/t15-/m0/s1
InChIKeyDZMAYYUQXYQKDR-HNNXBMFYSA-N
MW304.39 g/mol
LogP2.68
Rot. Bonds5

About 3-[(1R)-2,2-dimethyl-1-phenylpropyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione

3-[(1R)-2,2-dimethyl-1-phenylpropyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione (PubChem CID 100677182) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[(1R)-2,2-dimethyl-1-phenylpropyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(1R)-2,2-dimethyl-1-phenylpropyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione
PubChem CID100677182
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-[(1R)-2,2-dimethyl-1-phenylpropyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1CC(=O)N([C@@H](c2ccccc2)C(C)(C)C)C1=O
InChIInChI=1S/C17H24N2O3/c1-17(2,3)15(13-8-6-5-7-9-13)19-14(20)12-18(16(19)21)10-11-22-4/h5-9,15H,10-12H2,1-4H3/t15-/m0/s1
InChIKeyDZMAYYUQXYQKDR-HNNXBMFYSA-N
XLogP2.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
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 3-[(1R)-2,2-dimethyl-1-phenylpropyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(1R)-2,2-dimethyl-1-phenylpropyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione (CID 100677182) is 3-[(1R)-2,2-dimethyl-1-phenylpropyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(1R)-2,2-dimethyl-1-phenylpropyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(1R)-2,2-dimethyl-1-phenylpropyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione is COCCN1CC(=O)N([C@@H](c2ccccc2)C(C)(C)C)C1=O.
What is the InChIKey of 3-[(1R)-2,2-dimethyl-1-phenylpropyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione?
The InChIKey is DZMAYYUQXYQKDR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,3)15(13-8-6-5-7-9-13)19-14(20)12-18(16(19)21)10-11-22-4/h5-9,15H,10-12H2,1-4H3/t15-/m0/s1.
What are the key properties of 3-[(1R)-2,2-dimethyl-1-phenylpropyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione?
3-[(1R)-2,2-dimethyl-1-phenylpropyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione has a molecular weight of 304.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-2,2-dimethyl-1-phenylpropyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 100677182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).