methyl 2-[2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetate

C14H16N2O4 — CID 115461114

IUPACmethyl 2-[2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CN1C(=O)CN(C)C1=O
InChIInChI=1S/C14H16N2O4/c1-15-9-12(17)16(14(15)19)8-11-6-4-3-5-10(11)7-13(18)20-2/h3-6H,7-9H2,1-2H3
InChIKeyWQQMIGFINNMCLJ-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.80
Rot. Bonds4

About methyl 2-[2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetate

methyl 2-[2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetate (PubChem CID 115461114) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl 2-[2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetate
PubChem CID115461114
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namemethyl 2-[2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CN1C(=O)CN(C)C1=O
InChIInChI=1S/C14H16N2O4/c1-15-9-12(17)16(14(15)19)8-11-6-4-3-5-10(11)7-13(18)20-2/h3-6H,7-9H2,1-2H3
InChIKeyWQQMIGFINNMCLJ-UHFFFAOYSA-N
XLogP0.80
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetate (CID 115461114) is methyl 2-[2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetate is COC(=O)Cc1ccccc1CN1C(=O)CN(C)C1=O.
What is the InChIKey of methyl 2-[2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetate?
The InChIKey is WQQMIGFINNMCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-15-9-12(17)16(14(15)19)8-11-6-4-3-5-10(11)7-13(18)20-2/h3-6H,7-9H2,1-2H3.
What are the key properties of methyl 2-[2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetate?
methyl 2-[2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetate has a molecular weight of 276.29 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetate is sourced from PubChem (CID 115461114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).