2-methoxy-N-methyl-N-(3-nitrophenyl)acetamide

C10H12N2O4 — CID 140995398

IUPAC2-methoxy-N-methyl-N-(3-nitrophenyl)acetamide
SMILESCOCC(=O)N(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H12N2O4/c1-11(10(13)7-16-2)8-4-3-5-9(6-8)12(14)15/h3-6H,7H2,1-2H3
InChIKeyYBTSVXIMZZIRCZ-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.20
Rot. Bonds4

About 2-methoxy-N-methyl-N-(3-nitrophenyl)acetamide

2-methoxy-N-methyl-N-(3-nitrophenyl)acetamide (PubChem CID 140995398) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-(3-nitrophenyl)acetamide
PubChem CID140995398
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-methoxy-N-methyl-N-(3-nitrophenyl)acetamide
SMILESCOCC(=O)N(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H12N2O4/c1-11(10(13)7-16-2)8-4-3-5-9(6-8)12(14)15/h3-6H,7H2,1-2H3
InChIKeyYBTSVXIMZZIRCZ-UHFFFAOYSA-N
XLogP1.20
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
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-methyl-N-(3-nitrophenyl)butanamide
CID 12033690
3-(4-methoxyphenyl)-N-methyl-N-(3-nitrophenyl)propanamide
CID 75388561
N-methyl-2-(3-nitroanilino)-N-phenylacetamide
CID 9298118
methyl 2-(N-(2-methoxy-2-oxoethyl)-3-nitroanilino)acetate
CID 19389141
ethyl 3-amino-2-cyano-3-(N-methyl-3-nitroanilino)prop-2-enoate
CID 70599664
1-methoxy-3-(3-nitrophenoxy)propan-2-one
CID 107508001
[2-(N-methylanilino)-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 2370377
N-methoxy-N-methyl-2-(3-nitrophenoxy)acetamide
CID 55027939
N-ethyl-N-(3-nitrophenyl)acetamide
CID 3338972
N-methyl-N-(3-nitrophenyl)-2H-tetrazol-5-amine
CID 10822772
2-methoxy-N-(4-methylphenyl)-N-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]acetamide
CID 42853363
[2-(N-methylanilino)-2-oxoethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate
CID 18776657

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-methoxy-N-methyl-N-(3-nitrophenyl)acetamide (CID 140995398) is 2-methoxy-N-methyl-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-methoxy-N-methyl-N-(3-nitrophenyl)acetamide is COCC(=O)N(C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-methoxy-N-methyl-N-(3-nitrophenyl)acetamide?
The InChIKey is YBTSVXIMZZIRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-11(10(13)7-16-2)8-4-3-5-9(6-8)12(14)15/h3-6H,7H2,1-2H3.
What are the key properties of 2-methoxy-N-methyl-N-(3-nitrophenyl)acetamide?
2-methoxy-N-methyl-N-(3-nitrophenyl)acetamide has a molecular weight of 224.22 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 140995398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).