3-[2-amino-2-(4-tert-butylphenyl)ethyl]-1-methylimidazolidine-2,4-dione

C16H23N3O2 — CID 43212260

IUPAC3-[2-amino-2-(4-tert-butylphenyl)ethyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CC(N)c2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C16H23N3O2/c1-16(2,3)12-7-5-11(6-8-12)13(17)9-19-14(20)10-18(4)15(19)21/h5-8,13H,9-10,17H2,1-4H3
InChIKeyFQNBGHLWUZJJEY-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.88
Rot. Bonds3

About 3-[2-amino-2-(4-tert-butylphenyl)ethyl]-1-methylimidazolidine-2,4-dione

3-[2-amino-2-(4-tert-butylphenyl)ethyl]-1-methylimidazolidine-2,4-dione (PubChem CID 43212260) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[2-amino-2-(4-tert-butylphenyl)ethyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-amino-2-(4-tert-butylphenyl)ethyl]-1-methylimidazolidine-2,4-dione
PubChem CID43212260
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[2-amino-2-(4-tert-butylphenyl)ethyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CC(N)c2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C16H23N3O2/c1-16(2,3)12-7-5-11(6-8-12)13(17)9-19-14(20)10-18(4)15(19)21/h5-8,13H,9-10,17H2,1-4H3
InChIKeyFQNBGHLWUZJJEY-UHFFFAOYSA-N
XLogP1.88
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.88
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 3-[2-amino-2-(4-tert-butylphenyl)ethyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-amino-2-(4-tert-butylphenyl)ethyl]-1-methylimidazolidine-2,4-dione (CID 43212260) is 3-[2-amino-2-(4-tert-butylphenyl)ethyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-amino-2-(4-tert-butylphenyl)ethyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-amino-2-(4-tert-butylphenyl)ethyl]-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(CC(N)c2ccc(C(C)(C)C)cc2)C1=O.
What is the InChIKey of 3-[2-amino-2-(4-tert-butylphenyl)ethyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is FQNBGHLWUZJJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)12-7-5-11(6-8-12)13(17)9-19-14(20)10-18(4)15(19)21/h5-8,13H,9-10,17H2,1-4H3.
What are the key properties of 3-[2-amino-2-(4-tert-butylphenyl)ethyl]-1-methylimidazolidine-2,4-dione?
3-[2-amino-2-(4-tert-butylphenyl)ethyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 289.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(4-tert-butylphenyl)ethyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 43212260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).