2-[(4S)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide

C17H23N3O4 — CID 95166323

IUPAC2-[(4S)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCOC[C@]1(C)NC(=O)N(CC(=O)N(c2ccccc2)C(C)C)C1=O
InChIInChI=1S/C17H23N3O4/c1-12(2)20(13-8-6-5-7-9-13)14(21)10-19-15(22)17(3,11-24-4)18-16(19)23/h5-9,12H,10-11H2,1-4H3,(H,18,23)/t17-/m0/s1
InChIKeyXKQBKIBTNHRTIZ-KRWDZBQOSA-N
MW333.39 g/mol
LogP1.38
Rot. Bonds6

About 2-[(4S)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide

2-[(4S)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 95166323) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[(4S)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4S)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
PubChem CID95166323
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2-[(4S)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCOC[C@]1(C)NC(=O)N(CC(=O)N(c2ccccc2)C(C)C)C1=O
InChIInChI=1S/C17H23N3O4/c1-12(2)20(13-8-6-5-7-9-13)14(21)10-19-15(22)17(3,11-24-4)18-16(19)23/h5-9,12H,10-11H2,1-4H3,(H,18,23)/t17-/m0/s1
InChIKeyXKQBKIBTNHRTIZ-KRWDZBQOSA-N
XLogP1.38
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 42964360
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 9437310
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16545006
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793756
2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 25497659
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 7179645
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-phenyl-N-propan-2-ylacetamide
CID 84601405
2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7170822
N-(4-anilinophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 40781626
N-(4-anilinophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide
CID 112775758
2-[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 95166197
2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 51535172

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4S)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide (CID 95166323) is 2-[(4S)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4S)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4S)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide is COC[C@]1(C)NC(=O)N(CC(=O)N(c2ccccc2)C(C)C)C1=O.
What is the InChIKey of 2-[(4S)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is XKQBKIBTNHRTIZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-12(2)20(13-8-6-5-7-9-13)14(21)10-19-15(22)17(3,11-24-4)18-16(19)23/h5-9,12H,10-11H2,1-4H3,(H,18,23)/t17-/m0/s1.
What are the key properties of 2-[(4S)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide?
2-[(4S)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 333.39 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 95166323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).