2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxo-N-phenylpentanamide

C18H22N2O5 — CID 54435173

IUPAC2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxo-N-phenylpentanamide
SMILESCC(C)(C)C(=O)C(C(=O)Nc1ccccc1)N1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C18H22N2O5/c1-17(2,3)13(21)12(14(22)19-11-9-7-6-8-10-11)20-15(23)18(4,5)25-16(20)24/h6-10,12H,1-5H3,(H,19,22)
InChIKeyWKFLOHCCPWROLH-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.37
Rot. Bonds4

About 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxo-N-phenylpentanamide

2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxo-N-phenylpentanamide (PubChem CID 54435173) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxo-N-phenylpentanamide.

Molecular Properties

Compound Name2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxo-N-phenylpentanamide
PubChem CID54435173
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxo-N-phenylpentanamide
SMILESCC(C)(C)C(=O)C(C(=O)Nc1ccccc1)N1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C18H22N2O5/c1-17(2,3)13(21)12(14(22)19-11-9-7-6-8-10-11)20-15(23)18(4,5)25-16(20)24/h6-10,12H,1-5H3,(H,19,22)
InChIKeyWKFLOHCCPWROLH-UHFFFAOYSA-N
XLogP2.37
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4,4-dimethyl-3-oxo-N-phenylpentanamide
CID 10399263
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
(2R)-2-chloro-3-oxo-N-phenylbutanamide
CID 737830
4-chloro-2-methyl-3-oxo-N-phenylbutanamide
CID 21287643
N-[3-[[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(1-phenylimidazol-4-yl)propanoyl]amino]-4-methoxyphenyl]octadecanamide
CID 20821054
(2R)-2-amino-N-phenylpropanamide
CID 10607114
1-amino-2-anilino-2-oxoethanediazonium
CID 175021326
3-anilino-2-methoxy-3-oxopropanoic acid
CID 57113581
2,2-diphenyl-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 18293083
N-(4-tert-butylphenyl)-2,2-diphenylacetamide
CID 7914210
2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide
CID 113457786
2-(4-methyl-1,3-dioxetan-2-yl)-N-phenylpropanamide
CID 70819815

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxo-N-phenylpentanamide?
The IUPAC name of 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxo-N-phenylpentanamide (CID 54435173) is 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxo-N-phenylpentanamide.
What is the SMILES notation for 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxo-N-phenylpentanamide?
The canonical SMILES for 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxo-N-phenylpentanamide is CC(C)(C)C(=O)C(C(=O)Nc1ccccc1)N1C(=O)OC(C)(C)C1=O.
What is the InChIKey of 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxo-N-phenylpentanamide?
The InChIKey is WKFLOHCCPWROLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-17(2,3)13(21)12(14(22)19-11-9-7-6-8-10-11)20-15(23)18(4,5)25-16(20)24/h6-10,12H,1-5H3,(H,19,22).
What are the key properties of 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxo-N-phenylpentanamide?
2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxo-N-phenylpentanamide has a molecular weight of 346.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxo-N-phenylpentanamide is sourced from PubChem (CID 54435173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).