N-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-2-phenoxyacetamide

C14H17N3O4 — CID 78199659

IUPACN-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-2-phenoxyacetamide
SMILESCN1C(=O)CC(NC(=O)COc2ccccc2)N(C)C1=O
InChIInChI=1S/C14H17N3O4/c1-16-11(8-13(19)17(2)14(16)20)15-12(18)9-21-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,15,18)
InChIKeyFHATXOAUOACBCG-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.42
Rot. Bonds4

About N-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-2-phenoxyacetamide

N-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-2-phenoxyacetamide (PubChem CID 78199659) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-2-phenoxyacetamide
PubChem CID78199659
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-2-phenoxyacetamide
SMILESCN1C(=O)CC(NC(=O)COc2ccccc2)N(C)C1=O
InChIInChI=1S/C14H17N3O4/c1-16-11(8-13(19)17(2)14(16)20)15-12(18)9-21-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,15,18)
InChIKeyFHATXOAUOACBCG-UHFFFAOYSA-N
XLogP0.42
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide
CID 11162770
N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
CID 7563674
N-(4-oxocyclohexyl)-2-phenoxyacetamide
CID 43652791
sodium 3-methoxy-7-oxo-6-[(2-phenoxyacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CID 23670465
4-hydroxy-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid
CID 123895994
tert-butyl (3R)-3-[(2-phenoxyacetyl)amino]pyrrolidine-1-carboxylate
CID 96510561
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
CID 26397202
tert-butyl 2-hydroxy-2-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-sulfanylazetidin-1-yl]acetate
CID 54462129
2-(4-ethoxyphenoxy)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7546892
2-(4-methoxyphenoxy)-N-(5-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 16822099
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide
CID 110164138
[(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate
CID 11821934

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-2-phenoxyacetamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-2-phenoxyacetamide (CID 78199659) is N-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-2-phenoxyacetamide is CN1C(=O)CC(NC(=O)COc2ccccc2)N(C)C1=O.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-2-phenoxyacetamide?
The InChIKey is FHATXOAUOACBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-16-11(8-13(19)17(2)14(16)20)15-12(18)9-21-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,15,18).
What are the key properties of N-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-2-phenoxyacetamide?
N-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-2-phenoxyacetamide has a molecular weight of 291.31 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-2-phenoxyacetamide is sourced from PubChem (CID 78199659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).