N-(2-ethyl-6-methylphenyl)-2-[3-(2-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

C17H21N3O5 — CID 17452103

IUPACN-(2-ethyl-6-methylphenyl)-2-[3-(2-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCCc1cccc(C)c1NC(=O)CN1C(=O)C(=O)N(CCOC)C1=O
InChIInChI=1S/C17H21N3O5/c1-4-12-7-5-6-11(2)14(12)18-13(21)10-20-16(23)15(22)19(17(20)24)8-9-25-3/h5-7H,4,8-10H2,1-3H3,(H,18,21)
InChIKeyOLPXLWUWERJQEO-UHFFFAOYSA-N
MW347.37 g/mol
LogP0.93
Rot. Bonds7

About N-(2-ethyl-6-methylphenyl)-2-[3-(2-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-(2-ethyl-6-methylphenyl)-2-[3-(2-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 17452103) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[3-(2-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[3-(2-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID17452103
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[3-(2-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCCc1cccc(C)c1NC(=O)CN1C(=O)C(=O)N(CCOC)C1=O
InChIInChI=1S/C17H21N3O5/c1-4-12-7-5-6-11(2)14(12)18-13(21)10-20-16(23)15(22)19(17(20)24)8-9-25-3/h5-7H,4,8-10H2,1-3H3,(H,18,21)
InChIKeyOLPXLWUWERJQEO-UHFFFAOYSA-N
XLogP0.93
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7738311
N-(2-ethyl-6-methylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975795
N-(2-ethyl-6-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7888555
N-(2-ethyl-6-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7677753
3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 723292
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626879
N-(2-ethyl-6-methylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16548422
N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282563
N-(2-ethyl-6-methylphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7565952
N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 710877
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N-(2-ethyl-6-methylphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678275

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[3-(2-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[3-(2-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 17452103) is N-(2-ethyl-6-methylphenyl)-2-[3-(2-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[3-(2-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[3-(2-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is CCc1cccc(C)c1NC(=O)CN1C(=O)C(=O)N(CCOC)C1=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[3-(2-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is OLPXLWUWERJQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-4-12-7-5-6-11(2)14(12)18-13(21)10-20-16(23)15(22)19(17(20)24)8-9-25-3/h5-7H,4,8-10H2,1-3H3,(H,18,21).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[3-(2-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-(2-ethyl-6-methylphenyl)-2-[3-(2-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 347.37 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[3-(2-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 17452103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).