[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

C18H22FN3O5 — CID 2486963

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCC(=O)NCc2ccc(F)cc2)C1=O
InChIInChI=1S/C18H22FN3O5/c1-3-18(4-2)16(25)22(17(26)21-18)10-15(24)27-11-14(23)20-9-12-5-7-13(19)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,20,23)(H,21,26)
InChIKeyBZPPGGUQMQSBHF-UHFFFAOYSA-N
MW379.39 g/mol
LogP1.10
Rot. Bonds8

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 2486963) has the molecular formula C18H22FN3O5 and a molecular weight of 379.39 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID2486963
Molecular FormulaC18H22FN3O5
Molecular Weight379.39 g/mol
Exact Mass379.15
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCC(=O)NCc2ccc(F)cc2)C1=O
InChIInChI=1S/C18H22FN3O5/c1-3-18(4-2)16(25)22(17(26)21-18)10-15(24)27-11-14(23)20-9-12-5-7-13(19)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,20,23)(H,21,26)
InChIKeyBZPPGGUQMQSBHF-UHFFFAOYSA-N
XLogP1.10
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-fluorophenyl)methylamino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 2486963) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is CCC1(CC)NC(=O)N(CC(=O)OCC(=O)NCc2ccc(F)cc2)C1=O.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is BZPPGGUQMQSBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O5/c1-3-18(4-2)16(25)22(17(26)21-18)10-15(24)27-11-14(23)20-9-12-5-7-13(19)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,20,23)(H,21,26).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 379.39 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 2486963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).