N-(2-ethoxyphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide

C15H15N3O5 — CID 3890772

IUPACN-(2-ethoxyphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCCOc1ccccc1NC(=O)COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O5/c1-2-22-12-7-4-3-6-11(12)17-14(19)10-23-13-8-5-9-16-15(13)18(20)21/h3-9H,2,10H2,1H3,(H,17,19)
InChIKeyRABVLAHHWQFTSI-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.41
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide

N-(2-ethoxyphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 3890772) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID3890772
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC NameN-(2-ethoxyphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCCOc1ccccc1NC(=O)COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O5/c1-2-22-12-7-4-3-6-11(12)17-14(19)10-23-13-8-5-9-16-15(13)18(20)21/h3-9H,2,10H2,1H3,(H,17,19)
InChIKeyRABVLAHHWQFTSI-UHFFFAOYSA-N
XLogP2.41
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide (CID 3890772) is N-(2-ethoxyphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide is CCOc1ccccc1NC(=O)COc1cccnc1[N+](=O)[O-].
What is the InChIKey of N-(2-ethoxyphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is RABVLAHHWQFTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-2-22-12-7-4-3-6-11(12)17-14(19)10-23-13-8-5-9-16-15(13)18(20)21/h3-9H,2,10H2,1H3,(H,17,19).
What are the key properties of N-(2-ethoxyphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
N-(2-ethoxyphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 317.30 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 3890772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).