3-butyl-1-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione

C15H20N2O3 — CID 71375150

IUPAC3-butyl-1-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
SMILESCCCCN1C(=O)CN(Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C15H20N2O3/c1-3-4-9-17-14(18)11-16(15(17)19)10-12-5-7-13(20-2)8-6-12/h5-8H,3-4,9-11H2,1-2H3
InChIKeyJWSOBBIUEMSLPT-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.26
Rot. Bonds6

About 3-butyl-1-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione

3-butyl-1-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 71375150) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-butyl-1-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-1-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
PubChem CID71375150
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-butyl-1-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
SMILESCCCCN1C(=O)CN(Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C15H20N2O3/c1-3-4-9-17-14(18)11-16(15(17)19)10-12-5-7-13(20-2)8-6-12/h5-8H,3-4,9-11H2,1-2H3
InChIKeyJWSOBBIUEMSLPT-UHFFFAOYSA-N
XLogP2.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.26
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-butyl-1-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-butyl-1-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione (CID 71375150) is 3-butyl-1-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-butyl-1-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-butyl-1-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione is CCCCN1C(=O)CN(Cc2ccc(OC)cc2)C1=O.
What is the InChIKey of 3-butyl-1-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is JWSOBBIUEMSLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-4-9-17-14(18)11-16(15(17)19)10-12-5-7-13(20-2)8-6-12/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of 3-butyl-1-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione?
3-butyl-1-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 276.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71375150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).