N-(2-nitrophenyl)-2-(N,2,5-trimethylanilino)acetamide

C17H19N3O3 — CID 47060051

IUPACN-(2-nitrophenyl)-2-(N,2,5-trimethylanilino)acetamide
SMILESCc1ccc(C)c(N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C17H19N3O3/c1-12-8-9-13(2)16(10-12)19(3)11-17(21)18-14-6-4-5-7-15(14)20(22)23/h4-10H,11H2,1-3H3,(H,18,21)
InChIKeyNQMXZBQXCUXVIR-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.29
Rot. Bonds5

About N-(2-nitrophenyl)-2-(N,2,5-trimethylanilino)acetamide

N-(2-nitrophenyl)-2-(N,2,5-trimethylanilino)acetamide (PubChem CID 47060051) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(2-nitrophenyl)-2-(N,2,5-trimethylanilino)acetamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-2-(N,2,5-trimethylanilino)acetamide
PubChem CID47060051
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(2-nitrophenyl)-2-(N,2,5-trimethylanilino)acetamide
SMILESCc1ccc(C)c(N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C17H19N3O3/c1-12-8-9-13(2)16(10-12)19(3)11-17(21)18-14-6-4-5-7-15(14)20(22)23/h4-10H,11H2,1-3H3,(H,18,21)
InChIKeyNQMXZBQXCUXVIR-UHFFFAOYSA-N
XLogP3.29
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,5-dimethylphenyl)-2-(N-methyl-2,4-dinitroanilino)acetamide
CID 9110807
2-[methyl(naphthalen-2-yl)amino]-N-(4-methyl-2-nitrophenyl)acetamide
CID 31479768
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 8961830
N-(2,5-dimethylphenyl)-2-[methyl-[2-(2-nitrophenyl)sulfanylacetyl]amino]acetamide
CID 9479640
2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)acetamide
CID 8965861
2-[methyl(naphthalen-2-yl)amino]-N-(2-methyl-3-nitrophenyl)acetamide
CID 31377740
S-[2-(2-nitroanilino)-2-oxoethyl] N-(4-fluoro-2-methylphenyl)-N-methylcarbamothioate
CID 11545317
2-[ethyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetic acid
CID 61012422
N-cyclopropyl-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide
CID 9053004
2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide
CID 4531468
2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 52690735

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-2-(N,2,5-trimethylanilino)acetamide?
The IUPAC name of N-(2-nitrophenyl)-2-(N,2,5-trimethylanilino)acetamide (CID 47060051) is N-(2-nitrophenyl)-2-(N,2,5-trimethylanilino)acetamide.
What is the SMILES notation for N-(2-nitrophenyl)-2-(N,2,5-trimethylanilino)acetamide?
The canonical SMILES for N-(2-nitrophenyl)-2-(N,2,5-trimethylanilino)acetamide is Cc1ccc(C)c(N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of N-(2-nitrophenyl)-2-(N,2,5-trimethylanilino)acetamide?
The InChIKey is NQMXZBQXCUXVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-8-9-13(2)16(10-12)19(3)11-17(21)18-14-6-4-5-7-15(14)20(22)23/h4-10H,11H2,1-3H3,(H,18,21).
What are the key properties of N-(2-nitrophenyl)-2-(N,2,5-trimethylanilino)acetamide?
N-(2-nitrophenyl)-2-(N,2,5-trimethylanilino)acetamide has a molecular weight of 313.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-2-(N,2,5-trimethylanilino)acetamide is sourced from PubChem (CID 47060051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).