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

C10H12N2O4 — CID 885996

IUPAC2-methoxy-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCOCC(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C10H12N2O4/c1-7-3-4-8(12(14)15)5-9(7)11-10(13)6-16-2/h3-5H,6H2,1-2H3,(H,11,13)
InChIKeyMIKOMYBHVQRVFM-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.49
Rot. Bonds4

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

2-methoxy-N-(2-methyl-5-nitrophenyl)acetamide (PubChem CID 885996) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-methoxy-N-(2-methyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methyl-5-nitrophenyl)acetamide
PubChem CID885996
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-methoxy-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCOCC(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C10H12N2O4/c1-7-3-4-8(12(14)15)5-9(7)11-10(13)6-16-2/h3-5H,6H2,1-2H3,(H,11,13)
InChIKeyMIKOMYBHVQRVFM-UHFFFAOYSA-N
XLogP1.49
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.49
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-methyl-5-nitrophenyl)cyclopentanecarboxamide
CID 898570
[2-(2-Methyl-3-nitroanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2587809
N-(4-Methyl-3-nitrophenyl)acetamide
CID 73133
5'-Nitro-O-formotoluidide
CID 595916
[2-(3-Nitroanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 2358036
2-ethoxy-N-(2-methyl-5-nitrophenyl)acetamide
CID 2947334
N-(2-methyl-3-nitrophenyl)tetrahydro-2-furancarboxamide
CID 2947796
[2-(3-Nitroanilino)-2-oxoethyl] 2-ethylbutanoate
CID 2358702
N-(4-methyl-3-nitrophenyl)oxolane-2-carboxamide
CID 2931680
N-(2-Methyl-5-nitrophenyl)acetamide
CID 76144
N-(2,6-dimethyl-3-nitrophenyl)acetamide
CID 223591
Acetamide, N-(2,4-dimethyl-3-nitrophenyl)-
CID 170166

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-methoxy-N-(2-methyl-5-nitrophenyl)acetamide (CID 885996) is 2-methoxy-N-(2-methyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-methoxy-N-(2-methyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-methoxy-N-(2-methyl-5-nitrophenyl)acetamide is COCC(=O)Nc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of 2-methoxy-N-(2-methyl-5-nitrophenyl)acetamide?
The InChIKey is MIKOMYBHVQRVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-7-3-4-8(12(14)15)5-9(7)11-10(13)6-16-2/h3-5H,6H2,1-2H3,(H,11,13).
What are the key properties of 2-methoxy-N-(2-methyl-5-nitrophenyl)acetamide?
2-methoxy-N-(2-methyl-5-nitrophenyl)acetamide has a molecular weight of 224.22 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 885996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).