2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C13H16N2O5 — CID 717198

IUPAC2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCCO1
InChIInChI=1S/C13H16N2O5/c16-13(14-8-10-4-3-7-19-10)9-20-12-6-2-1-5-11(12)15(17)18/h1-2,5-6,10H,3-4,7-9H2,(H,14,16)/t10-/m1/s1
InChIKeyMNMRONZETGMRTD-SNVBAGLBSA-N
MW280.28 g/mol
LogP1.27
Rot. Bonds6

About 2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 717198) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID717198
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCCO1
InChIInChI=1S/C13H16N2O5/c16-13(14-8-10-4-3-7-19-10)9-20-12-6-2-1-5-11(12)15(17)18/h1-2,5-6,10H,3-4,7-9H2,(H,14,16)/t10-/m1/s1
InChIKeyMNMRONZETGMRTD-SNVBAGLBSA-N
XLogP1.27
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

3-[[2-(2-nitrophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17202329
2-(2-nitrophenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 2874725
N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide
CID 18168438
2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid
CID 80721764
2-(2-chloro-4-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4780067
2-(4-nitro-3-phenylmethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 69440571
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(2-cyanophenoxy)acetate
CID 2372728
2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]benzoic acid
CID 82810102
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 4-chloro-3-nitrobenzoate
CID 2622287
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 5-chloro-2-nitrobenzoate
CID 8604071

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 717198) is 2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCCO1.
What is the InChIKey of 2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is MNMRONZETGMRTD-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2O5/c16-13(14-8-10-4-3-7-19-10)9-20-12-6-2-1-5-11(12)15(17)18/h1-2,5-6,10H,3-4,7-9H2,(H,14,16)/t10-/m1/s1.
What are the key properties of 2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 280.28 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 717198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).