N-[(1R)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-2-(2-nitrophenoxy)acetamide

C15H20N2O6 — CID 100735557

IUPACN-[(1R)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-2-(2-nitrophenoxy)acetamide
SMILESCOC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1
InChIInChI=1S/C15H20N2O6/c1-21-9-11(13-7-4-8-22-13)16-15(18)10-23-14-6-3-2-5-12(14)17(19)20/h2-3,5-6,11,13H,4,7-10H2,1H3,(H,16,18)/t11-,13+/m1/s1
InChIKeyUKYHMAPHLIBJFD-YPMHNXCESA-N
MW324.33 g/mol
LogP1.28
Rot. Bonds8

About N-[(1R)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-2-(2-nitrophenoxy)acetamide

N-[(1R)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-2-(2-nitrophenoxy)acetamide (PubChem CID 100735557) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-2-(2-nitrophenoxy)acetamide
PubChem CID100735557
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC NameN-[(1R)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-2-(2-nitrophenoxy)acetamide
SMILESCOC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1
InChIInChI=1S/C15H20N2O6/c1-21-9-11(13-7-4-8-22-13)16-15(18)10-23-14-6-3-2-5-12(14)17(19)20/h2-3,5-6,11,13H,4,7-10H2,1H3,(H,16,18)/t11-,13+/m1/s1
InChIKeyUKYHMAPHLIBJFD-YPMHNXCESA-N
XLogP1.28
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.28
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

N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 119036775
N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide
CID 119036778
N-[(2S)-1-methoxypropan-2-yl]-2-(2-nitrophenoxy)acetamide
CID 7858942
2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 717198
methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]propanoate
CID 60637868
4-methoxy-2-[[2-(2-nitrophenoxy)acetyl]amino]butanoic acid
CID 120702454
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 7719046
N-(4-hydroxybutan-2-yl)-2-(2-nitrophenoxy)acetamide
CID 115283580
2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533761
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
3-[[2-(2-nitrophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17202329
2-(2-cyanophenoxy)-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]acetamide
CID 124606330

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[(1R)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-2-(2-nitrophenoxy)acetamide (CID 100735557) is N-[(1R)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(1R)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(1R)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-2-(2-nitrophenoxy)acetamide is COC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1.
What is the InChIKey of N-[(1R)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-2-(2-nitrophenoxy)acetamide?
The InChIKey is UKYHMAPHLIBJFD-YPMHNXCESA-N. The full InChI is InChI=1S/C15H20N2O6/c1-21-9-11(13-7-4-8-22-13)16-15(18)10-23-14-6-3-2-5-12(14)17(19)20/h2-3,5-6,11,13H,4,7-10H2,1H3,(H,16,18)/t11-,13+/m1/s1.
What are the key properties of N-[(1R)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-2-(2-nitrophenoxy)acetamide?
N-[(1R)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-2-(2-nitrophenoxy)acetamide has a molecular weight of 324.33 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 100735557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).