N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide

C15H16N2O6 — CID 9338576

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N[C@@H](C)c2ccco2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O6/c1-10(13-4-3-7-22-13)16-15(18)9-23-14-6-5-11(21-2)8-12(14)17(19)20/h3-8,10H,9H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeyFQSDACZDJATUFM-JTQLQIEISA-N
MW320.30 g/mol
LogP2.45
Rot. Bonds7

About N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide

N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide (PubChem CID 9338576) has the molecular formula C15H16N2O6 and a molecular weight of 320.30 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
PubChem CID9338576
Molecular FormulaC15H16N2O6
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N[C@@H](C)c2ccco2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O6/c1-10(13-4-3-7-22-13)16-15(18)9-23-14-6-5-11(21-2)8-12(14)17(19)20/h3-8,10H,9H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeyFQSDACZDJATUFM-JTQLQIEISA-N
XLogP2.45
TPSA103.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.45
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

2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide
CID 18076412
N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78487834
N-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473626
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 2565835
N-[(2R)-heptan-2-yl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 9338696
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
methyl (2R)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate
CID 9338767
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-formyl-2-nitrophenoxy)acetamide
CID 8640953
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 9338347
N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473647
N-[1-(furan-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18116881
2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 8856625

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide (CID 9338576) is N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide is COc1ccc(OCC(=O)N[C@@H](C)c2ccco2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide?
The InChIKey is FQSDACZDJATUFM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16N2O6/c1-10(13-4-3-7-22-13)16-15(18)9-23-14-6-5-11(21-2)8-12(14)17(19)20/h3-8,10H,9H2,1-2H3,(H,16,18)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide?
N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide has a molecular weight of 320.30 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide is sourced from PubChem (CID 9338576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).