[2-(4-methoxyanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

C16H19N3O6 — CID 7993716

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCOc1ccc(NC(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)cc1
InChIInChI=1S/C16H19N3O6/c1-16(2)14(22)19(15(23)18-16)8-13(21)25-9-12(20)17-10-4-6-11(24-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,17,20)(H,18,23)
InChIKeyNCJJJHSVTUYZQK-UHFFFAOYSA-N
MW349.34 g/mol
LogP0.51
Rot. Bonds6

About [2-(4-methoxyanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

[2-(4-methoxyanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 7993716) has the molecular formula C16H19N3O6 and a molecular weight of 349.34 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID7993716
Molecular FormulaC16H19N3O6
Molecular Weight349.34 g/mol
Exact Mass349.13
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCOc1ccc(NC(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)cc1
InChIInChI=1S/C16H19N3O6/c1-16(2)14(22)19(15(23)18-16)8-13(21)25-9-12(20)17-10-4-6-11(24-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,17,20)(H,18,23)
InChIKeyNCJJJHSVTUYZQK-UHFFFAOYSA-N
XLogP0.51
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 7993716) is [2-(4-methoxyanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is COc1ccc(NC(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is NCJJJHSVTUYZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6/c1-16(2)14(22)19(15(23)18-16)8-13(21)25-9-12(20)17-10-4-6-11(24-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,17,20)(H,18,23).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 349.34 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 7993716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).