2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide

C23H25N3O5 — CID 7692093

IUPAC2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C23H25N3O5/c1-4-14(2)16-7-5-6-8-17(16)24-20(27)12-26-21(28)23(3,25-22(26)29)15-9-10-18-19(11-15)31-13-30-18/h5-11,14H,4,12-13H2,1-3H3,(H,24,27)(H,25,29)/t14-,23+/m0/s1
InChIKeyATAHFAATFHCDFK-LFVRLGFBSA-N
MW423.47 g/mol
LogP3.33
Rot. Bonds6

About 2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide

2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide (PubChem CID 7692093) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is 2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
PubChem CID7692093
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C23H25N3O5/c1-4-14(2)16-7-5-6-8-17(16)24-20(27)12-26-21(28)23(3,25-22(26)29)15-9-10-18-19(11-15)31-13-30-18/h5-11,14H,4,12-13H2,1-3H3,(H,24,27)(H,25,29)/t14-,23+/m0/s1
InChIKeyATAHFAATFHCDFK-LFVRLGFBSA-N
XLogP3.33
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 18776242
N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7240439
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-nitrophenyl)acetamide
CID 41001186
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-nitrophenyl)acetamide
CID 41001187
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
CID 40931059
N-(2-chlorophenyl)-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7962311
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[(2R)-butan-2-yl]carbamoyl]acetamide
CID 7692108
(5S)-5-(1,3-benzodioxol-5-yl)-3-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7691904
2-[(4S)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 7595173
2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 43022599
N-(2-benzylphenyl)-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2558860
N-(1,3-benzodioxol-5-yl)-2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40957183

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide?
The IUPAC name of 2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide (CID 7692093) is 2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide?
The canonical SMILES for 2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide is CC[C@H](C)c1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of 2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide?
The InChIKey is ATAHFAATFHCDFK-LFVRLGFBSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-4-14(2)16-7-5-6-8-17(16)24-20(27)12-26-21(28)23(3,25-22(26)29)15-9-10-18-19(11-15)31-13-30-18/h5-11,14H,4,12-13H2,1-3H3,(H,24,27)(H,25,29)/t14-,23+/m0/s1.
What are the key properties of 2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide?
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide has a molecular weight of 423.47 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide is sourced from PubChem (CID 7692093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).