N-(2,3-dihydro-1H-inden-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide

C21H27N3O3 — CID 2667756

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C21H27N3O3/c25-18(22-17-10-9-15-7-6-8-16(15)13-17)14-24-19(26)21(23-20(24)27)11-4-2-1-3-5-12-21/h9-10,13H,1-8,11-12,14H2,(H,22,25)(H,23,27)
InChIKeyAYROQFDTWWCCMM-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.15
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide (PubChem CID 2667756) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
PubChem CID2667756
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C21H27N3O3/c25-18(22-17-10-9-15-7-6-8-16(15)13-17)14-24-19(26)21(23-20(24)27)11-4-2-1-3-5-12-21/h9-10,13H,1-8,11-12,14H2,(H,22,25)(H,23,27)
InChIKeyAYROQFDTWWCCMM-UHFFFAOYSA-N
XLogP3.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.15
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

N-(2,3-dihydro-1H-inden-5-yl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 42987842
N-(3,4-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622570
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
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701850
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-iodophenyl)acetamide
CID 2701826
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7609681
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 7170143
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17394782
N-(3,4-dimethoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622661

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide (CID 2667756) is N-(2,3-dihydro-1H-inden-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
The InChIKey is AYROQFDTWWCCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-18(22-17-10-9-15-7-6-8-16(15)13-17)14-24-19(26)21(23-20(24)27)11-4-2-1-3-5-12-21/h9-10,13H,1-8,11-12,14H2,(H,22,25)(H,23,27).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide has a molecular weight of 369.47 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide is sourced from PubChem (CID 2667756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).