N-(2-methoxyethyl)-2-(2-methyl-4-nitrophenoxy)acetamide

C12H16N2O5 — CID 2072497

IUPACN-(2-methoxyethyl)-2-(2-methyl-4-nitrophenoxy)acetamide
SMILESCOCCNC(=O)COc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C12H16N2O5/c1-9-7-10(14(16)17)3-4-11(9)19-8-12(15)13-5-6-18-2/h3-4,7H,5-6,8H2,1-2H3,(H,13,15)
InChIKeyFJRYTTHWNHCMRW-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.04
Rot. Bonds7

About N-(2-methoxyethyl)-2-(2-methyl-4-nitrophenoxy)acetamide

N-(2-methoxyethyl)-2-(2-methyl-4-nitrophenoxy)acetamide (PubChem CID 2072497) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(2-methyl-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(2-methyl-4-nitrophenoxy)acetamide
PubChem CID2072497
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC NameN-(2-methoxyethyl)-2-(2-methyl-4-nitrophenoxy)acetamide
SMILESCOCCNC(=O)COc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C12H16N2O5/c1-9-7-10(14(16)17)3-4-11(9)19-8-12(15)13-5-6-18-2/h3-4,7H,5-6,8H2,1-2H3,(H,13,15)
InChIKeyFJRYTTHWNHCMRW-UHFFFAOYSA-N
XLogP1.04
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(2-methyl-4-nitrophenoxy)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(2-methyl-4-nitrophenoxy)acetamide (CID 2072497) is N-(2-methoxyethyl)-2-(2-methyl-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(2-methyl-4-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(2-methyl-4-nitrophenoxy)acetamide is COCCNC(=O)COc1ccc([N+](=O)[O-])cc1C.
What is the InChIKey of N-(2-methoxyethyl)-2-(2-methyl-4-nitrophenoxy)acetamide?
The InChIKey is FJRYTTHWNHCMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-9-7-10(14(16)17)3-4-11(9)19-8-12(15)13-5-6-18-2/h3-4,7H,5-6,8H2,1-2H3,(H,13,15).
What are the key properties of N-(2-methoxyethyl)-2-(2-methyl-4-nitrophenoxy)acetamide?
N-(2-methoxyethyl)-2-(2-methyl-4-nitrophenoxy)acetamide has a molecular weight of 268.27 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(2-methyl-4-nitrophenoxy)acetamide is sourced from PubChem (CID 2072497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).