1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-prop-2-enylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea

C23H28N4O3 — CID 3797999

IUPAC1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-prop-2-enylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
SMILESC=CCN1C(=O)N(c2ccc(C)cc2)C(N(O)C(=O)Nc2ccc(C)cc2)C1(C)C
InChIInChI=1S/C23H28N4O3/c1-6-15-25-22(29)26(19-13-9-17(3)10-14-19)20(23(25,4)5)27(30)21(28)24-18-11-7-16(2)8-12-18/h6-14,20,30H,1,15H2,2-5H3,(H,24,28)
InChIKeyMEXXPZFAISZLQM-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.76
Rot. Bonds5

About 1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-prop-2-enylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea

1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-prop-2-enylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea (PubChem CID 3797999) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-prop-2-enylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-prop-2-enylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
PubChem CID3797999
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-prop-2-enylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
SMILESC=CCN1C(=O)N(c2ccc(C)cc2)C(N(O)C(=O)Nc2ccc(C)cc2)C1(C)C
InChIInChI=1S/C23H28N4O3/c1-6-15-25-22(29)26(19-13-9-17(3)10-14-19)20(23(25,4)5)27(30)21(28)24-18-11-7-16(2)8-12-18/h6-14,20,30H,1,15H2,2-5H3,(H,24,28)
InChIKeyMEXXPZFAISZLQM-UHFFFAOYSA-N
XLogP4.76
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-prop-2-enylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea?
The IUPAC name of 1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-prop-2-enylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea (CID 3797999) is 1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-prop-2-enylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-prop-2-enylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-prop-2-enylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea is C=CCN1C(=O)N(c2ccc(C)cc2)C(N(O)C(=O)Nc2ccc(C)cc2)C1(C)C.
What is the InChIKey of 1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-prop-2-enylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea?
The InChIKey is MEXXPZFAISZLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-6-15-25-22(29)26(19-13-9-17(3)10-14-19)20(23(25,4)5)27(30)21(28)24-18-11-7-16(2)8-12-18/h6-14,20,30H,1,15H2,2-5H3,(H,24,28).
What are the key properties of 1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-prop-2-enylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea?
1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-prop-2-enylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea has a molecular weight of 408.50 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-prop-2-enylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea is sourced from PubChem (CID 3797999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).