2-[(5S)-2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide

C17H21N3O4 — CID 97243650

IUPAC2-[(5S)-2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@H](c1ccccc1)N(C)C(=O)CN1C(=O)N[C@]2(CCOC2)C1=O
InChIInChI=1S/C17H21N3O4/c1-12(13-6-4-3-5-7-13)19(2)14(21)10-20-15(22)17(18-16(20)23)8-9-24-11-17/h3-7,12H,8-11H2,1-2H3,(H,18,23)/t12-,17+/m1/s1
InChIKeyDCWSFQYYCLQOAO-PXAZEXFGSA-N
MW331.37 g/mol
LogP0.92
Rot. Bonds4

About 2-[(5S)-2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide

2-[(5S)-2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 97243650) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[(5S)-2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(5S)-2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
PubChem CID97243650
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-[(5S)-2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@H](c1ccccc1)N(C)C(=O)CN1C(=O)N[C@]2(CCOC2)C1=O
InChIInChI=1S/C17H21N3O4/c1-12(13-6-4-3-5-7-13)19(2)14(21)10-20-15(22)17(18-16(20)23)8-9-24-11-17/h3-7,12H,8-11H2,1-2H3,(H,18,23)/t12-,17+/m1/s1
InChIKeyDCWSFQYYCLQOAO-PXAZEXFGSA-N
XLogP0.92
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.92
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

3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]propanamide
CID 26663131
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
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 9484095
N-benzhydryl-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
CID 42979649
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054178
N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054177
N-methyl-N-(1-phenylethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 56809949
(5S)-3-[(4-phenylcyclohexyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 99823283
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 46665930
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 46580301
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methyl-N-phenylacetamide
CID 2701791
2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide
CID 60519018

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(5S)-2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide (CID 97243650) is 2-[(5S)-2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(5S)-2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(5S)-2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide is C[C@H](c1ccccc1)N(C)C(=O)CN1C(=O)N[C@]2(CCOC2)C1=O.
What is the InChIKey of 2-[(5S)-2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is DCWSFQYYCLQOAO-PXAZEXFGSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-12(13-6-4-3-5-7-13)19(2)14(21)10-20-15(22)17(18-16(20)23)8-9-24-11-17/h3-7,12H,8-11H2,1-2H3,(H,18,23)/t12-,17+/m1/s1.
What are the key properties of 2-[(5S)-2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide?
2-[(5S)-2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 331.37 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2,4-dioxo-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 97243650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).