N-methyl-N-[(4-methylphenyl)methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide

C17H19N3O4 — CID 7807447

IUPACN-methyl-N-[(4-methylphenyl)methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
SMILESC=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2ccc(C)cc2)C1=O
InChIInChI=1S/C17H19N3O4/c1-4-9-19-15(22)16(23)20(17(19)24)11-14(21)18(3)10-13-7-5-12(2)6-8-13/h4-8H,1,9-11H2,2-3H3
InChIKeyFOPZODXYTWDWKO-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.93
Rot. Bonds6

About N-methyl-N-[(4-methylphenyl)methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide

N-methyl-N-[(4-methylphenyl)methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide (PubChem CID 7807447) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-methyl-N-[(4-methylphenyl)methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylphenyl)methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
PubChem CID7807447
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-methyl-N-[(4-methylphenyl)methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
SMILESC=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2ccc(C)cc2)C1=O
InChIInChI=1S/C17H19N3O4/c1-4-9-19-15(22)16(23)20(17(19)24)11-14(21)18(3)10-13-7-5-12(2)6-8-13/h4-8H,1,9-11H2,2-3H3
InChIKeyFOPZODXYTWDWKO-UHFFFAOYSA-N
XLogP0.93
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652417
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4820736
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 9375196
N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 30860521
N-methyl-N-[(4-methylphenyl)methyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 7382240
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 2450177
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652415
N-benzyl-N-methyl-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063770
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8888791
2-(2-formylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 62655146
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate
CID 7630591
N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 9228031

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide (CID 7807447) is N-methyl-N-[(4-methylphenyl)methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(4-methylphenyl)methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-methyl-N-[(4-methylphenyl)methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide is C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2ccc(C)cc2)C1=O.
What is the InChIKey of N-methyl-N-[(4-methylphenyl)methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The InChIKey is FOPZODXYTWDWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-4-9-19-15(22)16(23)20(17(19)24)11-14(21)18(3)10-13-7-5-12(2)6-8-13/h4-8H,1,9-11H2,2-3H3.
What are the key properties of N-methyl-N-[(4-methylphenyl)methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
N-methyl-N-[(4-methylphenyl)methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 0.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylphenyl)methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 7807447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).