3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C17H22N2O4 — CID 973568

IUPAC3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESC/C=C/c1ccc(OCCN2C(=O)NC(C)(C)C2=O)c(OC)c1
InChIInChI=1S/C17H22N2O4/c1-5-6-12-7-8-13(14(11-12)22-4)23-10-9-19-15(20)17(2,3)18-16(19)21/h5-8,11H,9-10H2,1-4H3,(H,18,21)/b6-5+
InChIKeyVRXXESWQWAFKSV-AATRIKPKSA-N
MW318.37 g/mol
LogP2.44
Rot. Bonds6

About 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 973568) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID973568
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESC/C=C/c1ccc(OCCN2C(=O)NC(C)(C)C2=O)c(OC)c1
InChIInChI=1S/C17H22N2O4/c1-5-6-12-7-8-13(14(11-12)22-4)23-10-9-19-15(20)17(2,3)18-16(19)21/h5-8,11H,9-10H2,1-4H3,(H,18,21)/b6-5+
InChIKeyVRXXESWQWAFKSV-AATRIKPKSA-N
XLogP2.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-(4-ethoxyphenyl)phenoxy]propan-2-yl]-N-hydroxyformamide
CID 21700264
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]acetamide
CID 2969145
N-{1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2,5-dioxo-4-trifluoromethyl-imidazolidin-4-yl}-3-methyl-butyramide
CID 3651967
methyl 2-[(4E)-4-[(4,5-dimethoxy-2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 5891052
methyl 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6092913
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8384866
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 16273759
N-[1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-(4-propoxyphenyl)phenoxy]propan-2-yl]-N-hydroxyformamide
CID 21699989
N-[1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-(4-pentoxyphenyl)phenoxy]propan-2-yl]-N-hydroxyformamide
CID 21700146
N-[1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-[4-(2-methoxyethoxy)phenyl]phenoxy]propan-2-yl]-N-hydroxyformamide
CID 21700258
3-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5,5-dimethyl-2,4-imidazolidinedione
CID 973405
3-[2-(2-Isopropyl-5-methylphenoxy)ethyl]-5,5-dimethyl-2,4-imidazolidinedione
CID 976275

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 973568) is 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione is C/C=C/c1ccc(OCCN2C(=O)NC(C)(C)C2=O)c(OC)c1.
What is the InChIKey of 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is VRXXESWQWAFKSV-AATRIKPKSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-5-6-12-7-8-13(14(11-12)22-4)23-10-9-19-15(20)17(2,3)18-16(19)21/h5-8,11H,9-10H2,1-4H3,(H,18,21)/b6-5+.
What are the key properties of 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 318.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 973568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).