5-cyclopropyl-5-methyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione

C16H20N2O3 — CID 112774676

IUPAC5-cyclopropyl-5-methyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione
SMILESCc1cccc(OCCN2C(=O)NC(C)(C3CC3)C2=O)c1
InChIInChI=1S/C16H20N2O3/c1-11-4-3-5-13(10-11)21-9-8-18-14(19)16(2,12-6-7-12)17-15(18)20/h3-5,10,12H,6-9H2,1-2H3,(H,17,20)
InChIKeyYAQSWYADFNQUFG-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.09
Rot. Bonds5

About 5-cyclopropyl-5-methyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione

5-cyclopropyl-5-methyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione (PubChem CID 112774676) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-cyclopropyl-5-methyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-methyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione
PubChem CID112774676
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-cyclopropyl-5-methyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione
SMILESCc1cccc(OCCN2C(=O)NC(C)(C3CC3)C2=O)c1
InChIInChI=1S/C16H20N2O3/c1-11-4-3-5-13(10-11)21-9-8-18-14(19)16(2,12-6-7-12)17-15(18)20/h3-5,10,12H,6-9H2,1-2H3,(H,17,20)
InChIKeyYAQSWYADFNQUFG-UHFFFAOYSA-N
XLogP2.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-ethyl-3-[2-(3-methylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7180837
(5S)-5-methyl-3-[2-(3-methylphenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 2579943
(5R)-5-cyclohexyl-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 7618695
5-cyclopropyl-3-[2-(2-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 4881528
(5S)-5-cyclohexyl-5-methyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 7619041
(5S)-3'-[2-(3-methylphenoxy)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 40819135
5-(4-chlorophenyl)-5-ethyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 42982813
5-cyclopropyl-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 71905359
5-(4-tert-butylphenyl)-5-methyl-3-[3-(3-methylphenoxy)propyl]imidazolidine-2,4-dione
CID 18267863
(5S)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178203
9-[2-(3-methylphenoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 62712519
3-[2-(3-fluorophenoxy)ethyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78867246

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-methyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-methyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione (CID 112774676) is 5-cyclopropyl-5-methyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-methyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-methyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione is Cc1cccc(OCCN2C(=O)NC(C)(C3CC3)C2=O)c1.
What is the InChIKey of 5-cyclopropyl-5-methyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione?
The InChIKey is YAQSWYADFNQUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-4-3-5-13(10-11)21-9-8-18-14(19)16(2,12-6-7-12)17-15(18)20/h3-5,10,12H,6-9H2,1-2H3,(H,17,20).
What are the key properties of 5-cyclopropyl-5-methyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione?
5-cyclopropyl-5-methyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-methyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 112774676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).