3-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione

C15H17F2N3O4 — CID 42995801

IUPAC3-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(/N=C/c2ccc(OC(F)F)c(OC)c2)C1=O
InChIInChI=1S/C15H17F2N3O4/c1-4-15(2)12(21)20(14(22)19-15)18-8-9-5-6-10(24-13(16)17)11(7-9)23-3/h5-8,13H,4H2,1-3H3,(H,19,22)/b18-8+
InChIKeyVXEZYRVBOUHHAD-QGMBQPNBSA-N
MW341.31 g/mol
LogP2.35
Rot. Bonds6

About 3-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione

3-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 42995801) has the molecular formula C15H17F2N3O4 and a molecular weight of 341.31 g/mol. Its IUPAC name is 3-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID42995801
Molecular FormulaC15H17F2N3O4
Molecular Weight341.31 g/mol
Exact Mass341.12
IUPAC Name3-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(/N=C/c2ccc(OC(F)F)c(OC)c2)C1=O
InChIInChI=1S/C15H17F2N3O4/c1-4-15(2)12(21)20(14(22)19-15)18-8-9-5-6-10(24-13(16)17)11(7-9)23-3/h5-8,13H,4H2,1-3H3,(H,19,22)/b18-8+
InChIKeyVXEZYRVBOUHHAD-QGMBQPNBSA-N
XLogP2.35
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione (CID 42995801) is 3-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione is CCC1(C)NC(=O)N(/N=C/c2ccc(OC(F)F)c(OC)c2)C1=O.
What is the InChIKey of 3-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is VXEZYRVBOUHHAD-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H17F2N3O4/c1-4-15(2)12(21)20(14(22)19-15)18-8-9-5-6-10(24-13(16)17)11(7-9)23-3/h5-8,13H,4H2,1-3H3,(H,19,22)/b18-8+.
What are the key properties of 3-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione?
3-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 341.31 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42995801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).