2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide

C22H27N3O4 — CID 11689795

IUPAC2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide
SMILESCOc1ccc(C2CN(Cc3ccccc3)C(=O)N2C(C(=O)NO)C(C)C)cc1
InChIInChI=1S/C22H27N3O4/c1-15(2)20(21(26)23-28)25-19(17-9-11-18(29-3)12-10-17)14-24(22(25)27)13-16-7-5-4-6-8-16/h4-12,15,19-20,28H,13-14H2,1-3H3,(H,23,26)
InChIKeyIOIWTELVAOKODZ-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.20
Rot. Bonds7

About 2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide

2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide (PubChem CID 11689795) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide
PubChem CID11689795
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide
SMILESCOc1ccc(C2CN(Cc3ccccc3)C(=O)N2C(C(=O)NO)C(C)C)cc1
InChIInChI=1S/C22H27N3O4/c1-15(2)20(21(26)23-28)25-19(17-9-11-18(29-3)12-10-17)14-24(22(25)27)13-16-7-5-4-6-8-16/h4-12,15,19-20,28H,13-14H2,1-3H3,(H,23,26)
InChIKeyIOIWTELVAOKODZ-UHFFFAOYSA-N
XLogP3.20
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide?
The IUPAC name of 2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide (CID 11689795) is 2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for 2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for 2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide is COc1ccc(C2CN(Cc3ccccc3)C(=O)N2C(C(=O)NO)C(C)C)cc1.
What is the InChIKey of 2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide?
The InChIKey is IOIWTELVAOKODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-15(2)20(21(26)23-28)25-19(17-9-11-18(29-3)12-10-17)14-24(22(25)27)13-16-7-5-4-6-8-16/h4-12,15,19-20,28H,13-14H2,1-3H3,(H,23,26).
What are the key properties of 2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide?
2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide has a molecular weight of 397.48 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 11689795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).