N-(2-methoxyethyl)-2-(4-methyl-3-nitroanilino)propanamide

C13H19N3O4 — CID 115573855

IUPACN-(2-methoxyethyl)-2-(4-methyl-3-nitroanilino)propanamide
SMILESCOCCNC(=O)C(C)Nc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O4/c1-9-4-5-11(8-12(9)16(18)19)15-10(2)13(17)14-6-7-20-3/h4-5,8,10,15H,6-7H2,1-3H3,(H,14,17)
InChIKeyJKJPPLPAGHKOHO-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.47
Rot. Bonds7

About N-(2-methoxyethyl)-2-(4-methyl-3-nitroanilino)propanamide

N-(2-methoxyethyl)-2-(4-methyl-3-nitroanilino)propanamide (PubChem CID 115573855) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(4-methyl-3-nitroanilino)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(4-methyl-3-nitroanilino)propanamide
PubChem CID115573855
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN-(2-methoxyethyl)-2-(4-methyl-3-nitroanilino)propanamide
SMILESCOCCNC(=O)C(C)Nc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O4/c1-9-4-5-11(8-12(9)16(18)19)15-10(2)13(17)14-6-7-20-3/h4-5,8,10,15H,6-7H2,1-3H3,(H,14,17)
InChIKeyJKJPPLPAGHKOHO-UHFFFAOYSA-N
XLogP1.47
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.47
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

3-methoxy-2-(4-methyl-3-nitroanilino)propanoic acid
CID 81078411
2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43087306
3-methoxy-2-(4-methyl-3-nitroanilino)propan-1-ol
CID 114155572
2-(3-methyl-4-nitroanilino)-N-propylpropanamide
CID 60969921
N-(2-methoxyethyl)-2-(2-methyl-4-nitroanilino)propanamide
CID 115573862
2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 65437332
2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide
CID 106891666
2-(4-methyl-3-nitroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 115571718
3-methoxy-2-[(4-methyl-3-nitrophenyl)carbamoylamino]propanoic acid
CID 81085695
N-(2-methoxyethyl)-2-(4-propan-2-yloxyanilino)propanamide
CID 43123159
1-N,1-N-dimethyl-2-N-(4-methyl-3-nitrophenyl)propane-1,2-diamine
CID 82937547
2-(3-cyano-4-nitroanilino)-N-propylpropanamide
CID 115500237

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(4-methyl-3-nitroanilino)propanamide?
The IUPAC name of N-(2-methoxyethyl)-2-(4-methyl-3-nitroanilino)propanamide (CID 115573855) is N-(2-methoxyethyl)-2-(4-methyl-3-nitroanilino)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(4-methyl-3-nitroanilino)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(4-methyl-3-nitroanilino)propanamide is COCCNC(=O)C(C)Nc1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2-methoxyethyl)-2-(4-methyl-3-nitroanilino)propanamide?
The InChIKey is JKJPPLPAGHKOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9-4-5-11(8-12(9)16(18)19)15-10(2)13(17)14-6-7-20-3/h4-5,8,10,15H,6-7H2,1-3H3,(H,14,17).
What are the key properties of N-(2-methoxyethyl)-2-(4-methyl-3-nitroanilino)propanamide?
N-(2-methoxyethyl)-2-(4-methyl-3-nitroanilino)propanamide has a molecular weight of 281.31 g/mol, XLogP of 1.47, 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-(4-methyl-3-nitroanilino)propanamide is sourced from PubChem (CID 115573855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).