2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

C13H18F3N3O4 — CID 146122623

IUPAC2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)CN1C(=O)NC2(CCOC2)C1=O
InChIInChI=1S/C13H18F3N3O4/c1-8(2)19(6-13(14,15)16)9(20)5-18-10(21)12(17-11(18)22)3-4-23-7-12/h8H,3-7H2,1-2H3,(H,17,22)
InChIKeyDFMSFGGZDVCCLX-UHFFFAOYSA-N
MW337.30 g/mol
LogP0.50
Rot. Bonds4

About 2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 146122623) has the molecular formula C13H18F3N3O4 and a molecular weight of 337.30 g/mol. Its IUPAC name is 2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID146122623
Molecular FormulaC13H18F3N3O4
Molecular Weight337.30 g/mol
Exact Mass337.12
IUPAC Name2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)CN1C(=O)NC2(CCOC2)C1=O
InChIInChI=1S/C13H18F3N3O4/c1-8(2)19(6-13(14,15)16)9(20)5-18-10(21)12(17-11(18)22)3-4-23-7-12/h8H,3-7H2,1-2H3,(H,17,22)
InChIKeyDFMSFGGZDVCCLX-UHFFFAOYSA-N
XLogP0.50
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S)-2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 97243650
2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 71996959
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 167746953
(5S)-3-[(4-trimethylsilylphenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 99796687
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-bis(2-methylpropyl)acetamide
CID 2583608
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-dimethylacetamide
CID 9208145
(5S)-3-[(4-phenylcyclohexyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 99823283
N-(1-aminopropan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
CID 119582843
3-ethyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78924545
N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide
CID 119653106
3-[2-(aminomethyl)prop-2-enyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528236
2-(1,4-diazepan-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 62839218

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 146122623) is 2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is CC(C)N(CC(F)(F)F)C(=O)CN1C(=O)NC2(CCOC2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DFMSFGGZDVCCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O4/c1-8(2)19(6-13(14,15)16)9(20)5-18-10(21)12(17-11(18)22)3-4-23-7-12/h8H,3-7H2,1-2H3,(H,17,22).
What are the key properties of 2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 337.30 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 146122623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).