3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione

C13H14N2O4 — CID 60772891

IUPAC3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCOc1cc(C)ccc1C(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C13H14N2O4/c1-8-3-4-9(11(5-8)19-2)10(16)7-15-12(17)6-14-13(15)18/h3-5H,6-7H2,1-2H3,(H,14,18)
InChIKeyYGKAKXOJZLSCTG-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.74
Rot. Bonds4

About 3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione

3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 60772891) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID60772891
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCOc1cc(C)ccc1C(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C13H14N2O4/c1-8-3-4-9(11(5-8)19-2)10(16)7-15-12(17)6-14-13(15)18/h3-5H,6-7H2,1-2H3,(H,14,18)
InChIKeyYGKAKXOJZLSCTG-UHFFFAOYSA-N
XLogP0.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione
CID 62024881
3-[2-(2-ethoxyphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 62023536
1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
2-(4-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 81103470
1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone
CID 62050975
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 43794292
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 83219914
2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381
1-(2-methoxy-4-methylphenyl)-5,5-dimethylhexan-1-one
CID 114209847
N-(3,4-dimethoxyphenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 110686783
2-[2-(dimethylamino)ethyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone
CID 63700393
1-(2-methoxy-4-methylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102960506

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione (CID 60772891) is 3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione is COc1cc(C)ccc1C(=O)CN1C(=O)CNC1=O.
What is the InChIKey of 3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is YGKAKXOJZLSCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8-3-4-9(11(5-8)19-2)10(16)7-15-12(17)6-14-13(15)18/h3-5H,6-7H2,1-2H3,(H,14,18).
What are the key properties of 3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione?
3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 262.26 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 60772891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).