2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide

C10H13N3O3 — CID 112557772

IUPAC2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide
SMILESCNCC(=O)Nc1cc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-7-3-4-9(13(15)16)8(5-7)12-10(14)6-11-2/h3-5,11H,6H2,1-2H3,(H,12,14)
InChIKeyJFGKWJMAYVHZKG-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.06
Rot. Bonds4

About 2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide

2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide (PubChem CID 112557772) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide
PubChem CID112557772
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide
SMILESCNCC(=O)Nc1cc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-7-3-4-9(13(15)16)8(5-7)12-10(14)6-11-2/h3-5,11H,6H2,1-2H3,(H,12,14)
InChIKeyJFGKWJMAYVHZKG-UHFFFAOYSA-N
XLogP1.06
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.06
H-Bond Donors ≤ 52
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

2-(methylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 43218210
N-(5-fluoro-2-nitrophenyl)-2-(methylamino)acetamide
CID 78914527
3-(5-methyl-2-nitroanilino)-3-oxopropanoic acid
CID 112557865
4-amino-4-methyl-N-(5-methyl-2-nitrophenyl)pentanamide
CID 112557775
N-(2,5-dimethylphenyl)-2-(methylamino)acetamide
CID 2396341
6-amino-4-methyl-N-(5-methyl-2-nitrophenyl)hexanamide
CID 115912617
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346
methyl 2-(5-methyl-2-nitroanilino)acetate
CID 58926520
2-amino-N-(5-methyl-2-nitrophenyl)butanamide
CID 112557726
4-iodo-N-(5-methyl-2-nitrophenyl)benzamide
CID 115912666
1-butyl-3-(5-methyl-2-nitrophenyl)urea
CID 116657565
N-(5-methyl-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide
CID 112557762

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide (CID 112557772) is 2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide is CNCC(=O)Nc1cc(C)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide?
The InChIKey is JFGKWJMAYVHZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-7-3-4-9(13(15)16)8(5-7)12-10(14)6-11-2/h3-5,11H,6H2,1-2H3,(H,12,14).
What are the key properties of 2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide?
2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide has a molecular weight of 223.23 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 112557772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).