N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide

C17H18N2O4 — CID 32602817

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide
SMILESCOCc1ccccc1CNC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O4/c1-23-12-15-8-3-2-7-14(15)11-18-17(20)10-13-6-4-5-9-16(13)19(21)22/h2-9H,10-12H2,1H3,(H,18,20)
InChIKeyZWGCJPULGDXLNV-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.60
Rot. Bonds7

About N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide

N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide (PubChem CID 32602817) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide
PubChem CID32602817
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide
SMILESCOCc1ccccc1CNC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O4/c1-23-12-15-8-3-2-7-14(15)11-18-17(20)10-13-6-4-5-9-16(13)19(21)22/h2-9H,10-12H2,1H3,(H,18,20)
InChIKeyZWGCJPULGDXLNV-UHFFFAOYSA-N
XLogP2.60
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-hydroxy-N-[[2-(methoxymethyl)phenyl]methyl]-3-nitrobenzamide
CID 99717489
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 743835
2-(2-hydroxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
CID 24873981
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
3-(methoxymethyl)-N-[(2-nitrophenyl)methyl]benzamide
CID 87004965
N-[[2-(methoxymethyl)phenyl]methyl]-5-methylsulfanyl-2-nitrobenzamide
CID 32604919
methyl 2-(2-nitrophenyl)acetate
CID 520464
2-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
CID 87004950
2-(2-nitrophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 41419267
2-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 33065353
N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 65110200
N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide
CID 83030865

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide (CID 32602817) is N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide is COCc1ccccc1CNC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is ZWGCJPULGDXLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-23-12-15-8-3-2-7-14(15)11-18-17(20)10-13-6-4-5-9-16(13)19(21)22/h2-9H,10-12H2,1H3,(H,18,20).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide?
N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 314.34 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 32602817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).