N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

C22H31N3O4 — CID 8889077

IUPACN-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)C1=O
InChIInChI=1S/C22H31N3O4/c1-13(2)11-24-20(27)21(28)25(22(24)29)12-18(26)23-19(15(5)6)17-9-7-16(8-10-17)14(3)4/h7-10,13-15,19H,11-12H2,1-6H3,(H,23,26)/t19-/m1/s1
InChIKeyRWPGFYBOARJJBT-LJQANCHMSA-N
MW401.51 g/mol
LogP3.07
Rot. Bonds8

About N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 8889077) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID8889077
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC NameN-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)C1=O
InChIInChI=1S/C22H31N3O4/c1-13(2)11-24-20(27)21(28)25(22(24)29)12-18(26)23-19(15(5)6)17-9-7-16(8-10-17)14(3)4/h7-10,13-15,19H,11-12H2,1-6H3,(H,23,26)/t19-/m1/s1
InChIKeyRWPGFYBOARJJBT-LJQANCHMSA-N
XLogP3.07
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 2574652
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7557966
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 55495065
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 9073243
N-[(2S)-5-methylhexan-2-yl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8889120
N-[2,6-di(propan-2-yl)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2660949
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 2574523
2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 29230660
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide
CID 2574725
N-(2-methylpropyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574518
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 46823895
2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 55481097

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 8889077) is N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is CC(C)CN1C(=O)C(=O)N(CC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)C1=O.
What is the InChIKey of N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is RWPGFYBOARJJBT-LJQANCHMSA-N. The full InChI is InChI=1S/C22H31N3O4/c1-13(2)11-24-20(27)21(28)25(22(24)29)12-18(26)23-19(15(5)6)17-9-7-16(8-10-17)14(3)4/h7-10,13-15,19H,11-12H2,1-6H3,(H,23,26)/t19-/m1/s1.
What are the key properties of N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 401.51 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 8889077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).