N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C21H24ClN3O4 — CID 46972949

IUPACN-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC(NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C21H24ClN3O4/c1-12-5-3-4-8-21(12)19(27)25(20(28)24-21)11-18(26)23-13(2)17-10-14-9-15(22)6-7-16(14)29-17/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyVOWPDWFRURXNGE-UHFFFAOYSA-N
MW417.89 g/mol
LogP3.76
Rot. Bonds4

About N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 46972949) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID46972949
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC NameN-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC(NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C21H24ClN3O4/c1-12-5-3-4-8-21(12)19(27)25(20(28)24-21)11-18(26)23-13(2)17-10-14-9-15(22)6-7-16(14)29-17/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyVOWPDWFRURXNGE-UHFFFAOYSA-N
XLogP3.76
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 53.76
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-(2,4-dichlorophenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7265379
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 7265087
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 7265457
N-(5-chloro-2-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4797462
N-(4-chloro-2-methylphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703321
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-pentan-3-ylacetamide
CID 2681071
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55595904
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 8571968
2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoic acid
CID 119348552
N-[(2S)-butan-2-yl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11940450
N-[(2R)-butan-2-yl]-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11940451
N-[2-(2,4-dichlorophenyl)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 6591160

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 46972949) is N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC(NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is VOWPDWFRURXNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c1-12-5-3-4-8-21(12)19(27)25(20(28)24-21)11-18(26)23-13(2)17-10-14-9-15(22)6-7-16(14)29-17/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,23,26)(H,24,28).
What are the key properties of N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 417.89 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 46972949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).