2-(4-nitrophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide

C12H12N2O6 — CID 44581741

IUPAC2-(4-nitrophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C12H12N2O6/c15-11(13-10-5-6-19-12(10)16)7-20-9-3-1-8(2-4-9)14(17)18/h1-4,10H,5-7H2,(H,13,15)/t10-/m0/s1
InChIKeyMNNKJGNQTQFROC-JTQLQIEISA-N
MW280.24 g/mol
LogP0.41
Rot. Bonds5

About 2-(4-nitrophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide

2-(4-nitrophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 44581741) has the molecular formula C12H12N2O6 and a molecular weight of 280.24 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID44581741
Molecular FormulaC12H12N2O6
Molecular Weight280.24 g/mol
Exact Mass280.07
IUPAC Name2-(4-nitrophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C12H12N2O6/c15-11(13-10-5-6-19-12(10)16)7-20-9-3-1-8(2-4-9)14(17)18/h1-4,10H,5-7H2,(H,13,15)/t10-/m0/s1
InChIKeyMNNKJGNQTQFROC-JTQLQIEISA-N
XLogP0.41
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 50.41
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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Related Compounds

L-Asparagine, N2-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester
CID 439663
N-cyclopropyl-2-(2-nitrophenoxy)acetamide
CID 2500572
2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4788373
1-(2-(4-Nitrophenoxy)acetyl)pyrrolidin-2-one
CID 482237
N-Isobutyl-2-(2-nitrophenoxy)acetamide
CID 2500401
[2-(Cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2570272
[2-(4-Ethoxy-2-nitroanilino)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate
CID 3273284
5-[(4-Nitrophenoxy)methyl]-1,3-oxazolidin-2-one
CID 340061
2-(4-nitrophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2971296
N-benzyl-2-(4-nitrophenoxy)acetamide
CID 2787239
4-(4-nitrophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)butanamide
CID 162648440
N-tert-butyloxycarbonylalanine-4-nitrophenyl ester
CID 102826

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 44581741) is 2-(4-nitrophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCOC1=O.
What is the InChIKey of 2-(4-nitrophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is MNNKJGNQTQFROC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12N2O6/c15-11(13-10-5-6-19-12(10)16)7-20-9-3-1-8(2-4-9)14(17)18/h1-4,10H,5-7H2,(H,13,15)/t10-/m0/s1.
What are the key properties of 2-(4-nitrophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
2-(4-nitrophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 280.24 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 44581741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).