N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide

C19H24N4O5 — CID 7975527

IUPACN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)c1
InChIInChI=1S/C19H24N4O5/c1-11(2)23-18(27)17(26)22(19(23)28)10-16(25)21(5)9-15(24)20-14-8-12(3)6-7-13(14)4/h6-8,11H,9-10H2,1-5H3,(H,20,24)
InChIKeyNIAJLVVZITVQJQ-UHFFFAOYSA-N
MW388.42 g/mol
LogP0.90
Rot. Bonds6

About N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (PubChem CID 7975527) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
PubChem CID7975527
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)c1
InChIInChI=1S/C19H24N4O5/c1-11(2)23-18(27)17(26)22(19(23)28)10-16(25)21(5)9-15(24)20-14-8-12(3)6-7-13(14)4/h6-8,11H,9-10H2,1-5H3,(H,20,24)
InChIKeyNIAJLVVZITVQJQ-UHFFFAOYSA-N
XLogP0.90
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 50.90
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-(4-acetylpiperazin-1-yl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 9033807
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2,4,5-trioxo-3-(1-phenylethyl)imidazolidin-1-yl]acetamide
CID 55547439
2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 7618361
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 17493433
2-(2,3-dihydroindol-1-yl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 9028083
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 8637936
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 17464561
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
CID 9479725
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8888782
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 4666685
2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 17491744
2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8914683

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (CID 7975527) is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)c1.
What is the InChIKey of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The InChIKey is NIAJLVVZITVQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-11(2)23-18(27)17(26)22(19(23)28)10-16(25)21(5)9-15(24)20-14-8-12(3)6-7-13(14)4/h6-8,11H,9-10H2,1-5H3,(H,20,24).
What are the key properties of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide has a molecular weight of 388.42 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 7975527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).