2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide

C16H20BrN3O4 — CID 7177945

IUPAC2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O
InChIInChI=1S/C16H20BrN3O4/c1-10(9-24-3)18-13(21)8-20-14(22)16(2,19-15(20)23)11-5-4-6-12(17)7-11/h4-7,10H,8-9H2,1-3H3,(H,18,21)(H,19,23)/t10-,16+/m1/s1
InChIKeyPPLPBOVGDDGFCW-HWPZZCPQSA-N
MW398.26 g/mol
LogP1.37
Rot. Bonds6

About 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide

2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide (PubChem CID 7177945) has the molecular formula C16H20BrN3O4 and a molecular weight of 398.26 g/mol. Its IUPAC name is 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
PubChem CID7177945
Molecular FormulaC16H20BrN3O4
Molecular Weight398.26 g/mol
Exact Mass397.06
IUPAC Name2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O
InChIInChI=1S/C16H20BrN3O4/c1-10(9-24-3)18-13(21)8-20-14(22)16(2,19-15(20)23)11-5-4-6-12(17)7-11/h4-7,10H,8-9H2,1-3H3,(H,18,21)(H,19,23)/t10-,16+/m1/s1
InChIKeyPPLPBOVGDDGFCW-HWPZZCPQSA-N
XLogP1.37
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-(3-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 95273589
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 2702070
N-benzhydryl-2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2081712
N-benzhydryl-2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2081711
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 25323209
2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7483930
N-[(2R)-1-methoxypropan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180214
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 4804430
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2702065
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-ynylacetamide
CID 43032745
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7179501
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 2701996

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The IUPAC name of 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide (CID 7177945) is 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide.
What is the SMILES notation for 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The canonical SMILES for 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide is COC[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O.
What is the InChIKey of 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The InChIKey is PPLPBOVGDDGFCW-HWPZZCPQSA-N. The full InChI is InChI=1S/C16H20BrN3O4/c1-10(9-24-3)18-13(21)8-20-14(22)16(2,19-15(20)23)11-5-4-6-12(17)7-11/h4-7,10H,8-9H2,1-3H3,(H,18,21)(H,19,23)/t10-,16+/m1/s1.
What are the key properties of 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide?
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide has a molecular weight of 398.26 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide is sourced from PubChem (CID 7177945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).