N-(2,6-dimethylphenyl)-2-(3-methoxy-N-methyl-4-nitroanilino)acetamide

C18H21N3O4 — CID 133334396

IUPACN-(2,6-dimethylphenyl)-2-(3-methoxy-N-methyl-4-nitroanilino)acetamide
SMILESCOc1cc(N(C)CC(=O)Nc2c(C)cccc2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H21N3O4/c1-12-6-5-7-13(2)18(12)19-17(22)11-20(3)14-8-9-15(21(23)24)16(10-14)25-4/h5-10H,11H2,1-4H3,(H,19,22)
InChIKeyHUWBHOZYPHSFMF-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.30
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-(3-methoxy-N-methyl-4-nitroanilino)acetamide

N-(2,6-dimethylphenyl)-2-(3-methoxy-N-methyl-4-nitroanilino)acetamide (PubChem CID 133334396) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(3-methoxy-N-methyl-4-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(3-methoxy-N-methyl-4-nitroanilino)acetamide
PubChem CID133334396
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-(2,6-dimethylphenyl)-2-(3-methoxy-N-methyl-4-nitroanilino)acetamide
SMILESCOc1cc(N(C)CC(=O)Nc2c(C)cccc2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H21N3O4/c1-12-6-5-7-13(2)18(12)19-17(22)11-20(3)14-8-9-15(21(23)24)16(10-14)25-4/h5-10H,11H2,1-4H3,(H,19,22)
InChIKeyHUWBHOZYPHSFMF-UHFFFAOYSA-N
XLogP3.30
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-2-[N-methyl-4-nitro-3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 133334354
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593263
2-(3-ethoxy-N-methyl-4-nitroanilino)-N-(4-methylphenyl)acetamide
CID 133424491
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8805437
N-(2,6-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide
CID 9195246
N-(2,6-dimethylphenyl)-2-[methyl-[2-(3-methyl-4-nitrophenoxy)acetyl]amino]acetamide
CID 8647866
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide
CID 9437901
N-[[3-(dimethylamino)phenyl]methyl]-3-methoxy-N-methyl-4-nitroaniline
CID 133385941
N',N'-diethyl-N-(3-methoxy-4-nitrophenyl)-N-methylethane-1,2-diamine
CID 144693023
2-[4-[3-(dimethylamino)propylsulfamoyl]-N-methyl-2-nitroanilino]-N-(2,6-dimethylphenyl)acetamide
CID 4841596
2-[methyl(naphthalen-2-yl)amino]-N-(2-methyl-3-nitrophenyl)acetamide
CID 31377740
N-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 30156711

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(3-methoxy-N-methyl-4-nitroanilino)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(3-methoxy-N-methyl-4-nitroanilino)acetamide (CID 133334396) is N-(2,6-dimethylphenyl)-2-(3-methoxy-N-methyl-4-nitroanilino)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(3-methoxy-N-methyl-4-nitroanilino)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(3-methoxy-N-methyl-4-nitroanilino)acetamide is COc1cc(N(C)CC(=O)Nc2c(C)cccc2C)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(3-methoxy-N-methyl-4-nitroanilino)acetamide?
The InChIKey is HUWBHOZYPHSFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-12-6-5-7-13(2)18(12)19-17(22)11-20(3)14-8-9-15(21(23)24)16(10-14)25-4/h5-10H,11H2,1-4H3,(H,19,22).
What are the key properties of N-(2,6-dimethylphenyl)-2-(3-methoxy-N-methyl-4-nitroanilino)acetamide?
N-(2,6-dimethylphenyl)-2-(3-methoxy-N-methyl-4-nitroanilino)acetamide has a molecular weight of 343.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(3-methoxy-N-methyl-4-nitroanilino)acetamide is sourced from PubChem (CID 133334396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).