2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C18H20ClN7O3 — CID 24558208

IUPAC2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)Cn1nnc(-c3cccc(Cl)c3)n1)C2=O
InChIInChI=1S/C18H20ClN7O3/c1-11-5-7-18(8-6-11)16(28)26(17(29)20-18)22-14(27)10-25-23-15(21-24-25)12-3-2-4-13(19)9-12/h2-4,9,11H,5-8,10H2,1H3,(H,20,29)(H,22,27)
InChIKeyZYJQPIYMTBZCTR-UHFFFAOYSA-N
MW417.86 g/mol
LogP1.53
Rot. Bonds4

About 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 24558208) has the molecular formula C18H20ClN7O3 and a molecular weight of 417.86 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID24558208
Molecular FormulaC18H20ClN7O3
Molecular Weight417.86 g/mol
Exact Mass417.13
IUPAC Name2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)Cn1nnc(-c3cccc(Cl)c3)n1)C2=O
InChIInChI=1S/C18H20ClN7O3/c1-11-5-7-18(8-6-11)16(28)26(17(29)20-18)22-14(27)10-25-23-15(21-24-25)12-3-2-4-13(19)9-12/h2-4,9,11H,5-8,10H2,1H3,(H,20,29)(H,22,27)
InChIKeyZYJQPIYMTBZCTR-UHFFFAOYSA-N
XLogP1.53
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 27802772
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide
CID 7490896
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
CID 7787230
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7490582
ethyl N-[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]carbamate
CID 7490658
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-phenylphenyl)acetamide
CID 27802749
N-(2,6-dichlorophenyl)-2-[ethyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]acetamide
CID 24561239
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7490847
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate
CID 16604465
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methylcyclohexyl)acetamide
CID 7491136
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 16523121
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide
CID 9324450

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 24558208) is 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CCC2(CC1)NC(=O)N(NC(=O)Cn1nnc(-c3cccc(Cl)c3)n1)C2=O.
What is the InChIKey of 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is ZYJQPIYMTBZCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN7O3/c1-11-5-7-18(8-6-11)16(28)26(17(29)20-18)22-14(27)10-25-23-15(21-24-25)12-3-2-4-13(19)9-12/h2-4,9,11H,5-8,10H2,1H3,(H,20,29)(H,22,27).
What are the key properties of 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 417.86 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 24558208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).