2-(2-aminoethoxy)-N-(2-methoxy-5-nitrophenyl)acetamide

C11H15N3O5 — CID 79464169

IUPAC2-(2-aminoethoxy)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)COCCN
InChIInChI=1S/C11H15N3O5/c1-18-10-3-2-8(14(16)17)6-9(10)13-11(15)7-19-5-4-12/h2-3,6H,4-5,7,12H2,1H3,(H,13,15)
InChIKeyXELPXDZVTZQORZ-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.52
Rot. Bonds7

About 2-(2-aminoethoxy)-N-(2-methoxy-5-nitrophenyl)acetamide

2-(2-aminoethoxy)-N-(2-methoxy-5-nitrophenyl)acetamide (PubChem CID 79464169) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(2-methoxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(2-methoxy-5-nitrophenyl)acetamide
PubChem CID79464169
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-(2-aminoethoxy)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)COCCN
InChIInChI=1S/C11H15N3O5/c1-18-10-3-2-8(14(16)17)6-9(10)13-11(15)7-19-5-4-12/h2-3,6H,4-5,7,12H2,1H3,(H,13,15)
InChIKeyXELPXDZVTZQORZ-UHFFFAOYSA-N
XLogP0.52
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methoxy-5-nitroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782632
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] propanoate
CID 2087469
7-amino-N-(2-methoxy-5-nitrophenyl)heptanamide
CID 43426912
N-(2-methoxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949950
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide
CID 79473829
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 2642360
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-fluorobenzoate
CID 2428263
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8867717
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 7796356
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841631
2,2,2-trifluoroethyl N-(2-methoxy-5-nitrophenyl)carbamate
CID 39871460

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(2-methoxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(2-methoxy-5-nitrophenyl)acetamide (CID 79464169) is 2-(2-aminoethoxy)-N-(2-methoxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(2-methoxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(2-methoxy-5-nitrophenyl)acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)COCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-(2-methoxy-5-nitrophenyl)acetamide?
The InChIKey is XELPXDZVTZQORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-18-10-3-2-8(14(16)17)6-9(10)13-11(15)7-19-5-4-12/h2-3,6H,4-5,7,12H2,1H3,(H,13,15).
What are the key properties of 2-(2-aminoethoxy)-N-(2-methoxy-5-nitrophenyl)acetamide?
2-(2-aminoethoxy)-N-(2-methoxy-5-nitrophenyl)acetamide has a molecular weight of 269.26 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(2-methoxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 79464169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).