2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(tert-butylcarbamoyl)acetamide

C18H22N4O6 — CID 7691908

IUPAC2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(tert-butylcarbamoyl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C18H22N4O6/c1-17(2,3)20-15(25)19-13(23)8-22-14(24)18(4,21-16(22)26)10-5-6-11-12(7-10)28-9-27-11/h5-7H,8-9H2,1-4H3,(H,21,26)(H2,19,20,23,25)/t18-/m0/s1
InChIKeyCTPHKYVMGAHIHR-SFHVURJKSA-N
MW390.40 g/mol
LogP0.81
Rot. Bonds3

About 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(tert-butylcarbamoyl)acetamide

2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(tert-butylcarbamoyl)acetamide (PubChem CID 7691908) has the molecular formula C18H22N4O6 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(tert-butylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(tert-butylcarbamoyl)acetamide
PubChem CID7691908
Molecular FormulaC18H22N4O6
Molecular Weight390.40 g/mol
Exact Mass390.15
IUPAC Name2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(tert-butylcarbamoyl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C18H22N4O6/c1-17(2,3)20-15(25)19-13(23)8-22-14(24)18(4,21-16(22)26)10-5-6-11-12(7-10)28-9-27-11/h5-7H,8-9H2,1-4H3,(H,21,26)(H2,19,20,23,25)/t18-/m0/s1
InChIKeyCTPHKYVMGAHIHR-SFHVURJKSA-N
XLogP0.81
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[(2R)-butan-2-yl]carbamoyl]acetamide
CID 7692108
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
CID 7691971
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
CID 40931059
N-(tert-butylcarbamoyl)-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7883905
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-butylacetamide
CID 7691962
2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 17441791
N-(tert-butylcarbamoyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2429434
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
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide
CID 40931197
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 7692114
ethyl 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7692011
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8006021

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(tert-butylcarbamoyl)acetamide?
The IUPAC name of 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(tert-butylcarbamoyl)acetamide (CID 7691908) is 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(tert-butylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(tert-butylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(tert-butylcarbamoyl)acetamide is CC(C)(C)NC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(tert-butylcarbamoyl)acetamide?
The InChIKey is CTPHKYVMGAHIHR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N4O6/c1-17(2,3)20-15(25)19-13(23)8-22-14(24)18(4,21-16(22)26)10-5-6-11-12(7-10)28-9-27-11/h5-7H,8-9H2,1-4H3,(H,21,26)(H2,19,20,23,25)/t18-/m0/s1.
What are the key properties of 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(tert-butylcarbamoyl)acetamide?
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(tert-butylcarbamoyl)acetamide has a molecular weight of 390.40 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(tert-butylcarbamoyl)acetamide is sourced from PubChem (CID 7691908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).