N-[2-(2-methoxyethylamino)ethyl]-2-(3-nitrophenyl)acetamide

C13H19N3O4 — CID 115878782

IUPACN-[2-(2-methoxyethylamino)ethyl]-2-(3-nitrophenyl)acetamide
SMILESCOCCNCCNC(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O4/c1-20-8-7-14-5-6-15-13(17)10-11-3-2-4-12(9-11)16(18)19/h2-4,9,14H,5-8,10H2,1H3,(H,15,17)
InChIKeyVAHQCBPRNNDENY-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.49
Rot. Bonds9

About N-[2-(2-methoxyethylamino)ethyl]-2-(3-nitrophenyl)acetamide

N-[2-(2-methoxyethylamino)ethyl]-2-(3-nitrophenyl)acetamide (PubChem CID 115878782) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-2-(3-nitrophenyl)acetamide
PubChem CID115878782
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-2-(3-nitrophenyl)acetamide
SMILESCOCCNCCNC(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O4/c1-20-8-7-14-5-6-15-13(17)10-11-3-2-4-12(9-11)16(18)19/h2-4,9,14H,5-8,10H2,1H3,(H,15,17)
InChIKeyVAHQCBPRNNDENY-UHFFFAOYSA-N
XLogP0.49
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.49
H-Bond Donors ≤ 52
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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Related Compounds

N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119507081
N-[2-(2-methoxyethylamino)ethyl]-2-(3-methylphenyl)acetamide
CID 82994349
N-(2-methoxyethyl)-2-(3-nitroanilino)acetamide
CID 113218646
2-(3-nitrophenyl)-N-prop-2-ynylacetamide
CID 115649182
2-bromo-N-[2-(2-methoxyethylamino)ethyl]-5-nitrobenzamide
CID 83040350
N-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119628240
sodium 2-(3-nitrophenyl)acetate
CID 20571503
N-[(2-methylpropan-2-yl)oxy]-2-(3-nitrophenyl)acetamide
CID 90891975
N-(2-methoxyethyl)-3-methyl-2-[(3-nitrophenyl)methylidene]butan-1-amine
CID 79339304
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-nitrophenyl)acetamide
CID 103772956
2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 112693194
3-methyl-2-[[[2-(3-nitrophenyl)acetyl]amino]methyl]butanoic acid
CID 104540991

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-2-(3-nitrophenyl)acetamide (CID 115878782) is N-[2-(2-methoxyethylamino)ethyl]-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-2-(3-nitrophenyl)acetamide is COCCNCCNC(=O)Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-2-(3-nitrophenyl)acetamide?
The InChIKey is VAHQCBPRNNDENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-20-8-7-14-5-6-15-13(17)10-11-3-2-4-12(9-11)16(18)19/h2-4,9,14H,5-8,10H2,1H3,(H,15,17).
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-2-(3-nitrophenyl)acetamide?
N-[2-(2-methoxyethylamino)ethyl]-2-(3-nitrophenyl)acetamide has a molecular weight of 281.31 g/mol, XLogP of 0.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 115878782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).