N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C14H16N4O6 — CID 3628825

IUPACN-(5-methoxy-2-methyl-4-nitrophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCOc1cc(NC(=O)CN2C(=O)CN(C)C2=O)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H16N4O6/c1-8-4-10(18(22)23)11(24-3)5-9(8)15-12(19)6-17-13(20)7-16(2)14(17)21/h4-5H,6-7H2,1-3H3,(H,15,19)
InChIKeyZPGKRUPYFXASGT-UHFFFAOYSA-N
MW336.30 g/mol
LogP0.74
Rot. Bonds5

About N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 3628825) has the molecular formula C14H16N4O6 and a molecular weight of 336.30 g/mol. Its IUPAC name is N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-methoxy-2-methyl-4-nitrophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID3628825
Molecular FormulaC14H16N4O6
Molecular Weight336.30 g/mol
Exact Mass336.11
IUPAC NameN-(5-methoxy-2-methyl-4-nitrophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCOc1cc(NC(=O)CN2C(=O)CN(C)C2=O)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H16N4O6/c1-8-4-10(18(22)23)11(24-3)5-9(8)15-12(19)6-17-13(20)7-16(2)14(17)21/h4-5H,6-7H2,1-3H3,(H,15,19)
InChIKeyZPGKRUPYFXASGT-UHFFFAOYSA-N
XLogP0.74
TPSA122.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 3970477
2-(azepan-1-ium-1-yl)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 8896042
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 3616017
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 15945394
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594209
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide
CID 8903926
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide
CID 7818239
ethyl (3R)-1-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 7858903
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-ethoxyacetate
CID 4874977
[2-(tert-butylamino)-2-oxoethyl]-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 8756805
2-(2-chloroanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 9098737
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5126472

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 3628825) is N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is COc1cc(NC(=O)CN2C(=O)CN(C)C2=O)c(C)cc1[N+](=O)[O-].
What is the InChIKey of N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is ZPGKRUPYFXASGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O6/c1-8-4-10(18(22)23)11(24-3)5-9(8)15-12(19)6-17-13(20)7-16(2)14(17)21/h4-5H,6-7H2,1-3H3,(H,15,19).
What are the key properties of N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 336.30 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 3628825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).