5-methyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione

C15H20N2O3 — CID 2835307

IUPAC5-methyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione
SMILESCC(C)CCOc1ccc(C2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C15H20N2O3/c1-10(2)8-9-20-12-6-4-11(5-7-12)15(3)13(18)16-14(19)17-15/h4-7,10H,8-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyQNZJWTRKDHNKFB-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.17
Rot. Bonds5

About 5-methyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione

5-methyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 2835307) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-methyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione
PubChem CID2835307
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-methyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione
SMILESCC(C)CCOc1ccc(C2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C15H20N2O3/c1-10(2)8-9-20-12-6-4-11(5-7-12)15(3)13(18)16-14(19)17-15/h4-7,10H,8-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyQNZJWTRKDHNKFB-UHFFFAOYSA-N
XLogP2.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.17
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 5-methyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione (CID 2835307) is 5-methyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione is CC(C)CCOc1ccc(C2(C)NC(=O)NC2=O)cc1.
What is the InChIKey of 5-methyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is QNZJWTRKDHNKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)8-9-20-12-6-4-11(5-7-12)15(3)13(18)16-14(19)17-15/h4-7,10H,8-9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 5-methyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione?
5-methyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 276.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 2835307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).