2-(2-aminoethoxy)-N-(2-bromo-4-methyl-5-nitrophenyl)acetamide

C11H14BrN3O4 — CID 104815312

IUPAC2-(2-aminoethoxy)-N-(2-bromo-4-methyl-5-nitrophenyl)acetamide
SMILESCc1cc(Br)c(NC(=O)COCCN)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14BrN3O4/c1-7-4-8(12)9(5-10(7)15(17)18)14-11(16)6-19-3-2-13/h4-5H,2-3,6,13H2,1H3,(H,14,16)
InChIKeyBOYMKDGNQJOFCD-UHFFFAOYSA-N
MW332.15 g/mol
LogP1.58
Rot. Bonds6

About 2-(2-aminoethoxy)-N-(2-bromo-4-methyl-5-nitrophenyl)acetamide

2-(2-aminoethoxy)-N-(2-bromo-4-methyl-5-nitrophenyl)acetamide (PubChem CID 104815312) has the molecular formula C11H14BrN3O4 and a molecular weight of 332.15 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(2-bromo-4-methyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(2-bromo-4-methyl-5-nitrophenyl)acetamide
PubChem CID104815312
Molecular FormulaC11H14BrN3O4
Molecular Weight332.15 g/mol
Exact Mass331.02
IUPAC Name2-(2-aminoethoxy)-N-(2-bromo-4-methyl-5-nitrophenyl)acetamide
SMILESCc1cc(Br)c(NC(=O)COCCN)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14BrN3O4/c1-7-4-8(12)9(5-10(7)15(17)18)14-11(16)6-19-3-2-13/h4-5H,2-3,6,13H2,1H3,(H,14,16)
InChIKeyBOYMKDGNQJOFCD-UHFFFAOYSA-N
XLogP1.58
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 51.58
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-(2-aminoethoxy)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 104757812
N-(2-bromo-4-methyl-5-nitrophenyl)-2-cyanoacetamide
CID 113456286
2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide
CID 79473716
N-(2-bromo-4-methyl-5-nitrophenyl)-2-(propylamino)acetamide
CID 104815211
(2R)-2-amino-N-(2-bromo-4-methyl-5-nitrophenyl)butanamide
CID 104815291
2-(2-aminoethoxy)-N-(2,5-dibromophenyl)acetamide
CID 79474102
1-amino-N-(2-bromo-4-methyl-5-nitrophenyl)cyclopropane-1-carboxamide
CID 104815289
2-amino-N-(2-bromo-4-methyl-5-nitrophenyl)pentanamide
CID 104815294
(2R)-2-amino-N-(2-bromo-4-methyl-5-nitrophenyl)pentanamide
CID 107570599
2-(2-aminoethoxy)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 79464169
N-(5-amino-2-bromo-4-methylphenyl)-2-ethoxyacetamide
CID 104814501
2-(2-aminoethoxy)-N-(3-chloro-4-nitrophenyl)acetamide
CID 82864620

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(2-bromo-4-methyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(2-bromo-4-methyl-5-nitrophenyl)acetamide (CID 104815312) is 2-(2-aminoethoxy)-N-(2-bromo-4-methyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(2-bromo-4-methyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(2-bromo-4-methyl-5-nitrophenyl)acetamide is Cc1cc(Br)c(NC(=O)COCCN)cc1[N+](=O)[O-].
What is the InChIKey of 2-(2-aminoethoxy)-N-(2-bromo-4-methyl-5-nitrophenyl)acetamide?
The InChIKey is BOYMKDGNQJOFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O4/c1-7-4-8(12)9(5-10(7)15(17)18)14-11(16)6-19-3-2-13/h4-5H,2-3,6,13H2,1H3,(H,14,16).
What are the key properties of 2-(2-aminoethoxy)-N-(2-bromo-4-methyl-5-nitrophenyl)acetamide?
2-(2-aminoethoxy)-N-(2-bromo-4-methyl-5-nitrophenyl)acetamide has a molecular weight of 332.15 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(2-bromo-4-methyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 104815312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).