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

C17H24N2O3 — CID 42976368

IUPAC5,5-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione
SMILESCc1cc(OCCN2C(=O)NC(C)(C)C2=O)ccc1C(C)C
InChIInChI=1S/C17H24N2O3/c1-11(2)14-7-6-13(10-12(14)3)22-9-8-19-15(20)17(4,5)18-16(19)21/h6-7,10-11H,8-9H2,1-5H3,(H,18,21)
InChIKeyLOJZBYAKQXCQQS-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.83
Rot. Bonds5

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

5,5-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione (PubChem CID 42976368) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione
PubChem CID42976368
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name5,5-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione
SMILESCc1cc(OCCN2C(=O)NC(C)(C)C2=O)ccc1C(C)C
InChIInChI=1S/C17H24N2O3/c1-11(2)14-7-6-13(10-12(14)3)22-9-8-19-15(20)17(4,5)18-16(19)21/h6-7,10-11H,8-9H2,1-5H3,(H,18,21)
InChIKeyLOJZBYAKQXCQQS-UHFFFAOYSA-N
XLogP2.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.83
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

3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 42988993
5-(3,4-difluorophenyl)-5-methyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione
CID 46640786
5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 47003689
3-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 1300284
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
3-[2-(4-aminophenoxy)ethyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 82149162
3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 16773331
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 46492636
(3R,4R)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidine-3,4-diamine
CID 166310179
4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55077310
4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 3386987
3-[2-(4-methylphenoxy)ethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 42979131

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione (CID 42976368) is 5,5-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione is Cc1cc(OCCN2C(=O)NC(C)(C)C2=O)ccc1C(C)C.
What is the InChIKey of 5,5-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione?
The InChIKey is LOJZBYAKQXCQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11(2)14-7-6-13(10-12(14)3)22-9-8-19-15(20)17(4,5)18-16(19)21/h6-7,10-11H,8-9H2,1-5H3,(H,18,21).
What are the key properties of 5,5-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione has a molecular weight of 304.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 42976368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).