2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide

C16H21N3O4 — CID 31001957

IUPAC2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)o1
InChIInChI=1S/C16H21N3O4/c1-9-4-7-12(23-9)10(2)17-13(20)8-19-14(21)16(3,11-5-6-11)18-15(19)22/h4,7,10-11H,5-6,8H2,1-3H3,(H,17,20)(H,18,22)/t10-,16-/m0/s1
InChIKeyJDUHDDUPJBFMAY-QFYYESIMSA-N
MW319.36 g/mol
LogP1.49
Rot. Bonds5

About 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide

2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide (PubChem CID 31001957) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide
PubChem CID31001957
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)o1
InChIInChI=1S/C16H21N3O4/c1-9-4-7-12(23-9)10(2)17-13(20)8-19-14(21)16(3,11-5-6-11)18-15(19)22/h4,7,10-11H,5-6,8H2,1-3H3,(H,17,20)(H,18,22)/t10-,16-/m0/s1
InChIKeyJDUHDDUPJBFMAY-QFYYESIMSA-N
XLogP1.49
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.49
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

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8576435
2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7618772
2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7618766
2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 7618408
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 16557047
N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 78810882
(2R)-2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119366870
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 30932708
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[furan-2-yl(phenyl)methyl]acetamide
CID 78807544
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-thiophen-3-ylacetamide
CID 97021772
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 16557391
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 124733154

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide (CID 31001957) is 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide is Cc1ccc([C@H](C)NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)o1.
What is the InChIKey of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide?
The InChIKey is JDUHDDUPJBFMAY-QFYYESIMSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-9-4-7-12(23-9)10(2)17-13(20)8-19-14(21)16(3,11-5-6-11)18-15(19)22/h4,7,10-11H,5-6,8H2,1-3H3,(H,17,20)(H,18,22)/t10-,16-/m0/s1.
What are the key properties of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide?
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide has a molecular weight of 319.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide is sourced from PubChem (CID 31001957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).