[4-[4-(ethoxyiminomethyl)phenyl]-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl] propanoate

C17H21N3O5 — CID 57269249

IUPAC[4-[4-(ethoxyiminomethyl)phenyl]-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl] propanoate
SMILESCCON=Cc1ccc(C2(C)C(=O)N(OC(=O)CC)C(=O)N2C)cc1
InChIInChI=1S/C17H21N3O5/c1-5-14(21)25-20-15(22)17(3,19(4)16(20)23)13-9-7-12(8-10-13)11-18-24-6-2/h7-11H,5-6H2,1-4H3
InChIKeyJDLZYGQXJHYJLW-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.03
Rot. Bonds6

About [4-[4-(ethoxyiminomethyl)phenyl]-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl] propanoate

[4-[4-(ethoxyiminomethyl)phenyl]-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl] propanoate (PubChem CID 57269249) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is [4-[4-(ethoxyiminomethyl)phenyl]-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl] propanoate.

Molecular Properties

Compound Name[4-[4-(ethoxyiminomethyl)phenyl]-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl] propanoate
PubChem CID57269249
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name[4-[4-(ethoxyiminomethyl)phenyl]-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl] propanoate
SMILESCCON=Cc1ccc(C2(C)C(=O)N(OC(=O)CC)C(=O)N2C)cc1
InChIInChI=1S/C17H21N3O5/c1-5-14(21)25-20-15(22)17(3,19(4)16(20)23)13-9-7-12(8-10-13)11-18-24-6-2/h7-11H,5-6H2,1-4H3
InChIKeyJDLZYGQXJHYJLW-UHFFFAOYSA-N
XLogP2.03
TPSA88.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(ethoxyiminomethyl)phenyl]-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl] propanoate?
The IUPAC name of [4-[4-(ethoxyiminomethyl)phenyl]-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl] propanoate (CID 57269249) is [4-[4-(ethoxyiminomethyl)phenyl]-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl] propanoate.
What is the SMILES notation for [4-[4-(ethoxyiminomethyl)phenyl]-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl] propanoate?
The canonical SMILES for [4-[4-(ethoxyiminomethyl)phenyl]-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl] propanoate is CCON=Cc1ccc(C2(C)C(=O)N(OC(=O)CC)C(=O)N2C)cc1.
What is the InChIKey of [4-[4-(ethoxyiminomethyl)phenyl]-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl] propanoate?
The InChIKey is JDLZYGQXJHYJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-5-14(21)25-20-15(22)17(3,19(4)16(20)23)13-9-7-12(8-10-13)11-18-24-6-2/h7-11H,5-6H2,1-4H3.
What are the key properties of [4-[4-(ethoxyiminomethyl)phenyl]-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl] propanoate?
[4-[4-(ethoxyiminomethyl)phenyl]-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl] propanoate has a molecular weight of 347.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(ethoxyiminomethyl)phenyl]-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl] propanoate is sourced from PubChem (CID 57269249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).