N-(2,4-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide

C14H17N3O3 — CID 110703519

IUPACN-(2,4-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
SMILESCc1ccc(NC(=O)CC2C(=O)NN(C)C2=O)c(C)c1
InChIInChI=1S/C14H17N3O3/c1-8-4-5-11(9(2)6-8)15-12(18)7-10-13(19)16-17(3)14(10)20/h4-6,10H,7H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyIQVNHIVHFIGOCT-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.75
Rot. Bonds3

About N-(2,4-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide

N-(2,4-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide (PubChem CID 110703519) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
PubChem CID110703519
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(2,4-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
SMILESCc1ccc(NC(=O)CC2C(=O)NN(C)C2=O)c(C)c1
InChIInChI=1S/C14H17N3O3/c1-8-4-5-11(9(2)6-8)15-12(18)7-10-13(19)16-17(3)14(10)20/h4-6,10H,7H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyIQVNHIVHFIGOCT-UHFFFAOYSA-N
XLogP0.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703522
N-(4-bromo-3-methylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703591
N-(2,4-dimethylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969538
N-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110857203
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
N-(2,4-dimethylphenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 702403
N-(2,6-difluorophenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703624
N-(2,4-dimethylphenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110857208
2-[(2S,4aS,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 41385171
N-(2,4-dimethylphenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 51674362
2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 6456804
N-(2,4-dimethylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide
CID 7263385

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide (CID 110703519) is N-(2,4-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide is Cc1ccc(NC(=O)CC2C(=O)NN(C)C2=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide?
The InChIKey is IQVNHIVHFIGOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8-4-5-11(9(2)6-8)15-12(18)7-10-13(19)16-17(3)14(10)20/h4-6,10H,7H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of N-(2,4-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide?
N-(2,4-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide is sourced from PubChem (CID 110703519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).