N-(3-ethylphenyl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide

C20H23N3O2 — CID 136553186

IUPACN-(3-ethylphenyl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide
SMILESCCc1cccc(NC(=O)CN2CCC(c3ccccc3)NC2=O)c1
InChIInChI=1S/C20H23N3O2/c1-2-15-7-6-10-17(13-15)21-19(24)14-23-12-11-18(22-20(23)25)16-8-4-3-5-9-16/h3-10,13,18H,2,11-12,14H2,1H3,(H,21,24)(H,22,25)
InChIKeyIICJIECLCIOSFH-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.34
Rot. Bonds5

About N-(3-ethylphenyl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide

N-(3-ethylphenyl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide (PubChem CID 136553186) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide
PubChem CID136553186
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(3-ethylphenyl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide
SMILESCCc1cccc(NC(=O)CN2CCC(c3ccccc3)NC2=O)c1
InChIInChI=1S/C20H23N3O2/c1-2-15-7-6-10-17(13-15)21-19(24)14-23-12-11-18(22-20(23)25)16-8-4-3-5-9-16/h3-10,13,18H,2,11-12,14H2,1H3,(H,21,24)(H,22,25)
InChIKeyIICJIECLCIOSFH-UHFFFAOYSA-N
XLogP3.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide
CID 136553611
1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032214
N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 119923733
2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide
CID 62067698
N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642263
N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide
CID 62656016
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide
CID 146101874
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3-ethylphenyl)acetamide
CID 7935145
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-ethylphenyl)acetamide
CID 7819549
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 7242663
N-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide
CID 126817515
N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenylacetamide
CID 110715395

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide (CID 136553186) is N-(3-ethylphenyl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide is CCc1cccc(NC(=O)CN2CCC(c3ccccc3)NC2=O)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide?
The InChIKey is IICJIECLCIOSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-2-15-7-6-10-17(13-15)21-19(24)14-23-12-11-18(22-20(23)25)16-8-4-3-5-9-16/h3-10,13,18H,2,11-12,14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(3-ethylphenyl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide?
N-(3-ethylphenyl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide has a molecular weight of 337.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide is sourced from PubChem (CID 136553186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).