[(2R)-6-(2,4-dioxo-3-phenylimidazolidin-1-yl)hexan-2-yl] acetate

C17H22N2O4 — CID 158619988

IUPAC[(2R)-6-(2,4-dioxo-3-phenylimidazolidin-1-yl)hexan-2-yl] acetate
SMILESCC(=O)O[C@H](C)CCCCN1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C17H22N2O4/c1-13(23-14(2)20)8-6-7-11-18-12-16(21)19(17(18)22)15-9-4-3-5-10-15/h3-5,9-10,13H,6-8,11-12H2,1-2H3/t13-/m1/s1
InChIKeyIVXOJKSGHNTDAD-CYBMUJFWSA-N
MW318.37 g/mol
LogP2.58
Rot. Bonds7

About [(2R)-6-(2,4-dioxo-3-phenylimidazolidin-1-yl)hexan-2-yl] acetate

[(2R)-6-(2,4-dioxo-3-phenylimidazolidin-1-yl)hexan-2-yl] acetate (PubChem CID 158619988) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is [(2R)-6-(2,4-dioxo-3-phenylimidazolidin-1-yl)hexan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-6-(2,4-dioxo-3-phenylimidazolidin-1-yl)hexan-2-yl] acetate
PubChem CID158619988
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name[(2R)-6-(2,4-dioxo-3-phenylimidazolidin-1-yl)hexan-2-yl] acetate
SMILESCC(=O)O[C@H](C)CCCCN1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C17H22N2O4/c1-13(23-14(2)20)8-6-7-11-18-12-16(21)19(17(18)22)15-9-4-3-5-10-15/h3-5,9-10,13H,6-8,11-12H2,1-2H3/t13-/m1/s1
InChIKeyIVXOJKSGHNTDAD-CYBMUJFWSA-N
XLogP2.58
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-6-(2,4-dioxo-3-phenylimidazolidin-1-yl)hexan-2-yl] acetate?
The IUPAC name of [(2R)-6-(2,4-dioxo-3-phenylimidazolidin-1-yl)hexan-2-yl] acetate (CID 158619988) is [(2R)-6-(2,4-dioxo-3-phenylimidazolidin-1-yl)hexan-2-yl] acetate.
What is the SMILES notation for [(2R)-6-(2,4-dioxo-3-phenylimidazolidin-1-yl)hexan-2-yl] acetate?
The canonical SMILES for [(2R)-6-(2,4-dioxo-3-phenylimidazolidin-1-yl)hexan-2-yl] acetate is CC(=O)O[C@H](C)CCCCN1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of [(2R)-6-(2,4-dioxo-3-phenylimidazolidin-1-yl)hexan-2-yl] acetate?
The InChIKey is IVXOJKSGHNTDAD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-13(23-14(2)20)8-6-7-11-18-12-16(21)19(17(18)22)15-9-4-3-5-10-15/h3-5,9-10,13H,6-8,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-6-(2,4-dioxo-3-phenylimidazolidin-1-yl)hexan-2-yl] acetate?
[(2R)-6-(2,4-dioxo-3-phenylimidazolidin-1-yl)hexan-2-yl] acetate has a molecular weight of 318.37 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-(2,4-dioxo-3-phenylimidazolidin-1-yl)hexan-2-yl] acetate is sourced from PubChem (CID 158619988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).