3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione

C17H24N4O3 — CID 135558475

IUPAC3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCN(CC)c1ccc(/C=N/N2C(=O)NC(C)(CC)C2=O)c(O)c1
InChIInChI=1S/C17H24N4O3/c1-5-17(4)15(23)21(16(24)19-17)18-11-12-8-9-13(10-14(12)22)20(6-2)7-3/h8-11,22H,5-7H2,1-4H3,(H,19,24)/b18-11+
InChIKeyVAUNWVACKTUSRM-WOJGMQOQSA-N
MW332.40 g/mol
LogP2.29
Rot. Bonds6

About 3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione

3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 135558475) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID135558475
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCN(CC)c1ccc(/C=N/N2C(=O)NC(C)(CC)C2=O)c(O)c1
InChIInChI=1S/C17H24N4O3/c1-5-17(4)15(23)21(16(24)19-17)18-11-12-8-9-13(10-14(12)22)20(6-2)7-3/h8-11,22H,5-7H2,1-4H3,(H,19,24)/b18-11+
InChIKeyVAUNWVACKTUSRM-WOJGMQOQSA-N
XLogP2.29
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione (CID 135558475) is 3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione is CCN(CC)c1ccc(/C=N/N2C(=O)NC(C)(CC)C2=O)c(O)c1.
What is the InChIKey of 3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is VAUNWVACKTUSRM-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-5-17(4)15(23)21(16(24)19-17)18-11-12-8-9-13(10-14(12)22)20(6-2)7-3/h8-11,22H,5-7H2,1-4H3,(H,19,24)/b18-11+.
What are the key properties of 3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione?
3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 332.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 135558475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).