3-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

C20H31N3O2 — CID 24505295

IUPAC3-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CC1NC(=O)N(CN(C)Cc2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C20H31N3O2/c1-14(2)11-17-18(24)23(19(25)21-17)13-22(6)12-15-7-9-16(10-8-15)20(3,4)5/h7-10,14,17H,11-13H2,1-6H3,(H,21,25)
InChIKeyXMJBYOPDXSRLJT-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.34
Rot. Bonds6

About 3-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

3-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 24505295) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID24505295
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CC1NC(=O)N(CN(C)Cc2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C20H31N3O2/c1-14(2)11-17-18(24)23(19(25)21-17)13-22(6)12-15-7-9-16(10-8-15)20(3,4)5/h7-10,14,17H,11-13H2,1-6H3,(H,21,25)
InChIKeyXMJBYOPDXSRLJT-UHFFFAOYSA-N
XLogP3.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.34
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-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 24505295) is 3-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)CC1NC(=O)N(CN(C)Cc2ccc(C(C)(C)C)cc2)C1=O.
What is the InChIKey of 3-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is XMJBYOPDXSRLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-14(2)11-17-18(24)23(19(25)21-17)13-22(6)12-15-7-9-16(10-8-15)20(3,4)5/h7-10,14,17H,11-13H2,1-6H3,(H,21,25).
What are the key properties of 3-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
3-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 345.49 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 24505295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).