N-benzyl-2-(2-formyl-4-nitrophenoxy)-N-(2-methoxyethyl)acetamide

C19H20N2O6 — CID 8808868

IUPACN-benzyl-2-(2-formyl-4-nitrophenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])cc1C=O
InChIInChI=1S/C19H20N2O6/c1-26-10-9-20(12-15-5-3-2-4-6-15)19(23)14-27-18-8-7-17(21(24)25)11-16(18)13-22/h2-8,11,13H,9-10,12,14H2,1H3
InChIKeyYYLHKBABWPJZAJ-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.46
Rot. Bonds10

About N-benzyl-2-(2-formyl-4-nitrophenoxy)-N-(2-methoxyethyl)acetamide

N-benzyl-2-(2-formyl-4-nitrophenoxy)-N-(2-methoxyethyl)acetamide (PubChem CID 8808868) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-benzyl-2-(2-formyl-4-nitrophenoxy)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-formyl-4-nitrophenoxy)-N-(2-methoxyethyl)acetamide
PubChem CID8808868
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC NameN-benzyl-2-(2-formyl-4-nitrophenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])cc1C=O
InChIInChI=1S/C19H20N2O6/c1-26-10-9-20(12-15-5-3-2-4-6-15)19(23)14-27-18-8-7-17(21(24)25)11-16(18)13-22/h2-8,11,13H,9-10,12,14H2,1H3
InChIKeyYYLHKBABWPJZAJ-UHFFFAOYSA-N
XLogP2.46
TPSA98.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-(2-formyl-4-nitrophenoxy)-N-phenylacetamide
CID 38925953
2-(2-acetamidophenoxy)-N-benzyl-N-(2-methoxyethyl)acetamide
CID 9017946
methyl 3-(2-formyl-4-nitrophenoxy)propanoate
CID 63950739
2-[2-methoxyethyl-[2-(3-nitrophenoxy)acetyl]amino]acetic acid
CID 119188944
5-nitro-2-(3-phenoxypropoxy)benzaldehyde
CID 60602345
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-formyl-4-nitrophenoxy)-N-methylacetamide
CID 8808890
dimethyl 5-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylate
CID 8885961
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-nitrobenzamide
CID 4228728
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 9286230
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-chloro-2-nitrobenzoate
CID 9015581
2-(4-bromo-2-formylphenoxy)-N-methyl-N-(4-nitrophenyl)acetamide
CID 24569426
2-[2-methoxyethyl-[3-(3-nitrophenyl)propanoyl]amino]acetic acid
CID 119348154

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-formyl-4-nitrophenoxy)-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-benzyl-2-(2-formyl-4-nitrophenoxy)-N-(2-methoxyethyl)acetamide (CID 8808868) is N-benzyl-2-(2-formyl-4-nitrophenoxy)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-benzyl-2-(2-formyl-4-nitrophenoxy)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-benzyl-2-(2-formyl-4-nitrophenoxy)-N-(2-methoxyethyl)acetamide is COCCN(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])cc1C=O.
What is the InChIKey of N-benzyl-2-(2-formyl-4-nitrophenoxy)-N-(2-methoxyethyl)acetamide?
The InChIKey is YYLHKBABWPJZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-26-10-9-20(12-15-5-3-2-4-6-15)19(23)14-27-18-8-7-17(21(24)25)11-16(18)13-22/h2-8,11,13H,9-10,12,14H2,1H3.
What are the key properties of N-benzyl-2-(2-formyl-4-nitrophenoxy)-N-(2-methoxyethyl)acetamide?
N-benzyl-2-(2-formyl-4-nitrophenoxy)-N-(2-methoxyethyl)acetamide has a molecular weight of 372.38 g/mol, XLogP of 2.46, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-formyl-4-nitrophenoxy)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 8808868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).