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

C18H24N2O4 — CID 2216263

IUPAC3-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESC/C=C/c1ccc(OCCCN2C(=O)NC(C)(C)C2=O)c(OC)c1
InChIInChI=1S/C18H24N2O4/c1-5-7-13-8-9-14(15(12-13)23-4)24-11-6-10-20-16(21)18(2,3)19-17(20)22/h5,7-9,12H,6,10-11H2,1-4H3,(H,19,22)/b7-5+
InChIKeyVEPKWDMVDJIWGG-FNORWQNLSA-N
MW332.40 g/mol
LogP2.83
Rot. Bonds7

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

3-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 2216263) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID2216263
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name3-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESC/C=C/c1ccc(OCCCN2C(=O)NC(C)(C)C2=O)c(OC)c1
InChIInChI=1S/C18H24N2O4/c1-5-7-13-8-9-14(15(12-13)23-4)24-11-6-10-20-16(21)18(2,3)19-17(20)22/h5,7-9,12H,6,10-11H2,1-4H3,(H,19,22)/b7-5+
InChIKeyVEPKWDMVDJIWGG-FNORWQNLSA-N
XLogP2.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione (CID 2216263) is 3-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione is C/C=C/c1ccc(OCCCN2C(=O)NC(C)(C)C2=O)c(OC)c1.
What is the InChIKey of 3-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is VEPKWDMVDJIWGG-FNORWQNLSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-5-7-13-8-9-14(15(12-13)23-4)24-11-6-10-20-16(21)18(2,3)19-17(20)22/h5,7-9,12H,6,10-11H2,1-4H3,(H,19,22)/b7-5+.
What are the key properties of 3-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 332.40 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 2216263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).