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

C19H25N3O4 — CID 8521724

IUPAC2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide
SMILESC[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCOc1ccccc1)C2=O
InChIInChI=1S/C19H25N3O4/c1-14-7-5-6-10-19(14)17(24)22(18(25)21-19)13-16(23)20-11-12-26-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3,(H,20,23)(H,21,25)/t14-,19-/m0/s1
InChIKeyUZHSIMVFDASMOT-LIRRHRJNSA-N
MW359.43 g/mol
LogP1.68
Rot. Bonds6

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

2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide (PubChem CID 8521724) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide
PubChem CID8521724
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide
SMILESC[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCOc1ccccc1)C2=O
InChIInChI=1S/C19H25N3O4/c1-14-7-5-6-10-19(14)17(24)22(18(25)21-19)13-16(23)20-11-12-26-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3,(H,20,23)(H,21,25)/t14-,19-/m0/s1
InChIKeyUZHSIMVFDASMOT-LIRRHRJNSA-N
XLogP1.68
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-phenylmethoxypropyl)acetamide
CID 51647046
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 2604082
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 6600873
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8572080
N-[2-(2-methoxyphenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 40895735
N-(benzylcarbamoyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703371
N-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3279586
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]acetamide
CID 51585025
N-[2-(benzylsulfamoyl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55726823
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 9437314
N-(2-aminoethyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119384509
N-(3-methylbutyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 16545028

Frequently Asked Questions

What is the IUPAC name of 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide (CID 8521724) is 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide is C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCOc1ccccc1)C2=O.
What is the InChIKey of 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide?
The InChIKey is UZHSIMVFDASMOT-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-14-7-5-6-10-19(14)17(24)22(18(25)21-19)13-16(23)20-11-12-26-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3,(H,20,23)(H,21,25)/t14-,19-/m0/s1.
What are the key properties of 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide?
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide has a molecular weight of 359.43 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 8521724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).