2-(2-benzyl-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide

C20H18N2O5 — CID 27142980

IUPAC2-(2-benzyl-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)NCc1ccco1
InChIInChI=1S/C20H18N2O5/c23-20(21-13-18-7-4-10-26-18)14-27-19-9-8-17(22(24)25)12-16(19)11-15-5-2-1-3-6-15/h1-10,12H,11,13-14H2,(H,21,23)
InChIKeyZTDBFHJEIQOCHG-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.47
Rot. Bonds8

About 2-(2-benzyl-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide

2-(2-benzyl-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide (PubChem CID 27142980) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-(2-benzyl-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-benzyl-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide
PubChem CID27142980
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name2-(2-benzyl-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)NCc1ccco1
InChIInChI=1S/C20H18N2O5/c23-20(21-13-18-7-4-10-26-18)14-27-19-9-8-17(22(24)25)12-16(19)11-15-5-2-1-3-6-15/h1-10,12H,11,13-14H2,(H,21,23)
InChIKeyZTDBFHJEIQOCHG-UHFFFAOYSA-N
XLogP3.47
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.47
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

2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 7509255
2-[[2-(2-benzylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 18118989
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329386
2-(2-benzyl-4-nitrophenoxy)-N-(2-ethylphenyl)acetamide
CID 27143091
2-[[2-(2-benzyl-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 38134685
N-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473626
N-methyl-1-[5-nitro-2-(2-phenylethoxy)phenyl]methanamine
CID 43472675
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 17407249
2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide
CID 43472899
2-(2-benzyl-4-nitrophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 27143021
N-(furan-2-ylmethyl)-2-(2-methyl-4-nitroanilino)acetamide
CID 78815640
N-(furan-2-ylmethyl)-2-[[5-[(4-nitrophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1301356

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-benzyl-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide (CID 27142980) is 2-(2-benzyl-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-benzyl-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-benzyl-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)NCc1ccco1.
What is the InChIKey of 2-(2-benzyl-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is ZTDBFHJEIQOCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c23-20(21-13-18-7-4-10-26-18)14-27-19-9-8-17(22(24)25)12-16(19)11-15-5-2-1-3-6-15/h1-10,12H,11,13-14H2,(H,21,23).
What are the key properties of 2-(2-benzyl-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide?
2-(2-benzyl-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 366.37 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 27142980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).