2-(2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C15H19N3O5 — CID 25162858

IUPAC2-(2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NCCCN1CCCC1=O
InChIInChI=1S/C15H19N3O5/c19-14(16-8-4-10-17-9-3-7-15(17)20)11-23-13-6-2-1-5-12(13)18(21)22/h1-2,5-6H,3-4,7-11H2,(H,16,19)
InChIKeyNZNZAPXKVPSPNJ-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.10
Rot. Bonds8

About 2-(2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-(2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 25162858) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID25162858
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name2-(2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NCCCN1CCCC1=O
InChIInChI=1S/C15H19N3O5/c19-14(16-8-4-10-17-9-3-7-15(17)20)11-23-13-6-2-1-5-12(13)18(21)22/h1-2,5-6H,3-4,7-11H2,(H,16,19)
InChIKeyNZNZAPXKVPSPNJ-UHFFFAOYSA-N
XLogP1.10
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
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-nitrophenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78802483
N-(4-hydroxybutyl)-2-(2-nitrophenoxy)acetamide
CID 106843022
2-(2-bromo-4-fluorophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 2392820
N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 134023288
2-(2-methylphenoxy)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110722802
N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide
CID 51222276
N-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide
CID 107299515
2-[2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethoxy]ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 574581
2-(4-formylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 78788687
N-(2-methyl-2-piperidin-1-ylpropyl)-2-(2-nitrophenoxy)acetamide
CID 51164344
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 6064890
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 25162858) is 2-(2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is O=C(COc1ccccc1[N+](=O)[O-])NCCCN1CCCC1=O.
What is the InChIKey of 2-(2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is NZNZAPXKVPSPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c19-14(16-8-4-10-17-9-3-7-15(17)20)11-23-13-6-2-1-5-12(13)18(21)22/h1-2,5-6H,3-4,7-11H2,(H,16,19).
What are the key properties of 2-(2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-(2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 321.33 g/mol, XLogP of 1.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 25162858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).