N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide

C17H20ClN3O3 — CID 2701850

IUPACN-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O3/c18-12-5-7-13(8-6-12)19-14(22)11-21-15(23)17(20-16(21)24)9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,19,22)(H,20,24)
InChIKeyKEGMDEMQIGTGTO-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.92
Rot. Bonds3

About N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide

N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide (PubChem CID 2701850) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
PubChem CID2701850
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC NameN-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O3/c18-12-5-7-13(8-6-12)19-14(22)11-21-15(23)17(20-16(21)24)9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,19,22)(H,20,24)
InChIKeyKEGMDEMQIGTGTO-UHFFFAOYSA-N
XLogP2.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylphenyl)acetamide
CID 2701811
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622697
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 4791328
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methylphenyl)acetamide
CID 2377118
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-iodophenyl)acetamide
CID 2701826
N-(4-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2438146
N-[3-chloro-4-(dimethylamino)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55825786
methyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]benzoate
CID 7240794
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methoxyphenyl)acetamide
CID 2708830
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 47093728
N-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2475113
N-(3-chloro-4-piperidin-1-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55885276

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide (CID 2701850) is N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The InChIKey is KEGMDEMQIGTGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c18-12-5-7-13(8-6-12)19-14(22)11-21-15(23)17(20-16(21)24)9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,19,22)(H,20,24).
What are the key properties of N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide has a molecular weight of 349.82 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide is sourced from PubChem (CID 2701850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).