N-(2-methoxyethyl)-2-(3-nitroanilino)acetamide

C11H15N3O4 — CID 113218646

IUPACN-(2-methoxyethyl)-2-(3-nitroanilino)acetamide
SMILESCOCCNC(=O)CNc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O4/c1-18-6-5-12-11(15)8-13-9-3-2-4-10(7-9)14(16)17/h2-4,7,13H,5-6,8H2,1H3,(H,12,15)
InChIKeyTYDBPTZOMWUDCX-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.77
Rot. Bonds7

About N-(2-methoxyethyl)-2-(3-nitroanilino)acetamide

N-(2-methoxyethyl)-2-(3-nitroanilino)acetamide (PubChem CID 113218646) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(3-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(3-nitroanilino)acetamide
PubChem CID113218646
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-(2-methoxyethyl)-2-(3-nitroanilino)acetamide
SMILESCOCCNC(=O)CNc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O4/c1-18-6-5-12-11(15)8-13-9-3-2-4-10(7-9)14(16)17/h2-4,7,13H,5-6,8H2,1H3,(H,12,15)
InChIKeyTYDBPTZOMWUDCX-UHFFFAOYSA-N
XLogP0.77
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.77
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

2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 39335252
2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347237
2-(2-chloro-4-nitroanilino)-N-(2-methoxyethyl)acetamide
CID 26448563
N-butyl-6-[6-[6-[[2-(3-nitroanilino)acetyl]amino]hexanoylamino]hexanoylamino]hexanamide
CID 129082384
2-chloro-N-(3-nitrophenyl)acetamide;N-(2-hydroxyethyl)-2-(3-nitroanilino)acetamide
CID 87642861
1-(3-nitroanilino)propan-2-one
CID 141021170
N-[2-(2-methoxyethylamino)ethyl]-2-(3-nitrophenyl)acetamide
CID 115878782
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709
N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide
CID 9081418
N-[4-(2-methoxyethylcarbamoyl)phenyl]-3-nitrobenzamide
CID 17218194
N-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide
CID 8933282
1-[3-(2-methoxyethoxy)propyl]-3-(3-nitrophenyl)urea
CID 24626919

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(3-nitroanilino)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(3-nitroanilino)acetamide (CID 113218646) is N-(2-methoxyethyl)-2-(3-nitroanilino)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(3-nitroanilino)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(3-nitroanilino)acetamide is COCCNC(=O)CNc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-methoxyethyl)-2-(3-nitroanilino)acetamide?
The InChIKey is TYDBPTZOMWUDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-18-6-5-12-11(15)8-13-9-3-2-4-10(7-9)14(16)17/h2-4,7,13H,5-6,8H2,1H3,(H,12,15).
What are the key properties of N-(2-methoxyethyl)-2-(3-nitroanilino)acetamide?
N-(2-methoxyethyl)-2-(3-nitroanilino)acetamide has a molecular weight of 253.26 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(3-nitroanilino)acetamide is sourced from PubChem (CID 113218646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).