5,5-dimethyl-3-[2-(5-methyl-2-nitrophenoxy)ethyl]imidazolidine-2,4-dione

C14H17N3O5 — CID 973357

IUPAC5,5-dimethyl-3-[2-(5-methyl-2-nitrophenoxy)ethyl]imidazolidine-2,4-dione
SMILESCc1ccc([N+](=O)[O-])c(OCCN2C(=O)NC(C)(C)C2=O)c1
InChIInChI=1S/C14H17N3O5/c1-9-4-5-10(17(20)21)11(8-9)22-7-6-16-12(18)14(2,3)15-13(16)19/h4-5,8H,6-7H2,1-3H3,(H,15,19)
InChIKeyUCMJUAWKBZFGAS-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.61
Rot. Bonds5

About 5,5-dimethyl-3-[2-(5-methyl-2-nitrophenoxy)ethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-(5-methyl-2-nitrophenoxy)ethyl]imidazolidine-2,4-dione (PubChem CID 973357) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-(5-methyl-2-nitrophenoxy)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-(5-methyl-2-nitrophenoxy)ethyl]imidazolidine-2,4-dione
PubChem CID973357
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name5,5-dimethyl-3-[2-(5-methyl-2-nitrophenoxy)ethyl]imidazolidine-2,4-dione
SMILESCc1ccc([N+](=O)[O-])c(OCCN2C(=O)NC(C)(C)C2=O)c1
InChIInChI=1S/C14H17N3O5/c1-9-4-5-10(17(20)21)11(8-9)22-7-6-16-12(18)14(2,3)15-13(16)19/h4-5,8H,6-7H2,1-3H3,(H,15,19)
InChIKeyUCMJUAWKBZFGAS-UHFFFAOYSA-N
XLogP1.61
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 5,5-dimethyl-3-[2-(5-methyl-2-nitrophenoxy)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-(5-methyl-2-nitrophenoxy)ethyl]imidazolidine-2,4-dione (CID 973357) is 5,5-dimethyl-3-[2-(5-methyl-2-nitrophenoxy)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-(5-methyl-2-nitrophenoxy)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-(5-methyl-2-nitrophenoxy)ethyl]imidazolidine-2,4-dione is Cc1ccc([N+](=O)[O-])c(OCCN2C(=O)NC(C)(C)C2=O)c1.
What is the InChIKey of 5,5-dimethyl-3-[2-(5-methyl-2-nitrophenoxy)ethyl]imidazolidine-2,4-dione?
The InChIKey is UCMJUAWKBZFGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-9-4-5-10(17(20)21)11(8-9)22-7-6-16-12(18)14(2,3)15-13(16)19/h4-5,8H,6-7H2,1-3H3,(H,15,19).
What are the key properties of 5,5-dimethyl-3-[2-(5-methyl-2-nitrophenoxy)ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-(5-methyl-2-nitrophenoxy)ethyl]imidazolidine-2,4-dione has a molecular weight of 307.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-(5-methyl-2-nitrophenoxy)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 973357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).