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

C23H30N4O3 — CID 3761126

IUPAC1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-propylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
SMILESCCCN1C(=O)N(c2ccc(C)cc2)C(N(O)C(=O)Nc2ccc(C)cc2)C1(C)C
InChIInChI=1S/C23H30N4O3/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/h7-14,20,30H,6,15H2,1-5H3,(H,24,28)
InChIKeyIXKDMZJIZKTBQZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.98
Rot. Bonds5

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

1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-propylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea (PubChem CID 3761126) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-propylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-propylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
PubChem CID3761126
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-propylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
SMILESCCCN1C(=O)N(c2ccc(C)cc2)C(N(O)C(=O)Nc2ccc(C)cc2)C1(C)C
InChIInChI=1S/C23H30N4O3/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/h7-14,20,30H,6,15H2,1-5H3,(H,24,28)
InChIKeyIXKDMZJIZKTBQZ-UHFFFAOYSA-N
XLogP4.98
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-propylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea?
The IUPAC name of 1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-propylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea (CID 3761126) is 1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-propylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-propylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-propylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea is CCCN1C(=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-propylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea?
The InChIKey is IXKDMZJIZKTBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/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/h7-14,20,30H,6,15H2,1-5H3,(H,24,28).
What are the key properties of 1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-propylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea?
1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-propylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea has a molecular weight of 410.52 g/mol, XLogP of 4.98, 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-propylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea is sourced from PubChem (CID 3761126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).