2-(4-nitrophenoxy)-N-phenylmethoxyacetamide

C15H14N2O5 — CID 41248168

IUPAC2-(4-nitrophenoxy)-N-phenylmethoxyacetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NOCc1ccccc1
InChIInChI=1S/C15H14N2O5/c18-15(16-22-10-12-4-2-1-3-5-12)11-21-14-8-6-13(7-9-14)17(19)20/h1-9H,10-11H2,(H,16,18)
InChIKeyKOWBPFXIHPWYIE-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.22
Rot. Bonds7

About 2-(4-nitrophenoxy)-N-phenylmethoxyacetamide

2-(4-nitrophenoxy)-N-phenylmethoxyacetamide (PubChem CID 41248168) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-phenylmethoxyacetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-phenylmethoxyacetamide
PubChem CID41248168
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name2-(4-nitrophenoxy)-N-phenylmethoxyacetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NOCc1ccccc1
InChIInChI=1S/C15H14N2O5/c18-15(16-22-10-12-4-2-1-3-5-12)11-21-14-8-6-13(7-9-14)17(19)20/h1-9H,10-11H2,(H,16,18)
InChIKeyKOWBPFXIHPWYIE-UHFFFAOYSA-N
XLogP2.22
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.22
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

N'-[2-(4-nitrophenoxy)acetyl]-2-phenylacetohydrazide
CID 922307
N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 3114321
2-(4-nitrophenoxy)-N'-phenylacetohydrazide
CID 739659
2-(4-acetylphenoxy)-N-phenylmethoxyacetamide
CID 26062081
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
(4-nitrophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842104
1-(4-nitrophenoxy)-3-phenylpropan-2-one
CID 61031518
2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 717631
2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2632338
1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
CID 2956271
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-phenylmethoxyacetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-phenylmethoxyacetamide (CID 41248168) is 2-(4-nitrophenoxy)-N-phenylmethoxyacetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-phenylmethoxyacetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-phenylmethoxyacetamide is O=C(COc1ccc([N+](=O)[O-])cc1)NOCc1ccccc1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-phenylmethoxyacetamide?
The InChIKey is KOWBPFXIHPWYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c18-15(16-22-10-12-4-2-1-3-5-12)11-21-14-8-6-13(7-9-14)17(19)20/h1-9H,10-11H2,(H,16,18).
What are the key properties of 2-(4-nitrophenoxy)-N-phenylmethoxyacetamide?
2-(4-nitrophenoxy)-N-phenylmethoxyacetamide has a molecular weight of 302.29 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-phenylmethoxyacetamide is sourced from PubChem (CID 41248168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).