N-[(2-methoxyphenyl)methyl]-2-(4-nitrophenoxy)acetamide

C16H16N2O5 — CID 977884

IUPACN-[(2-methoxyphenyl)methyl]-2-(4-nitrophenoxy)acetamide
SMILESCOc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O5/c1-22-15-5-3-2-4-12(15)10-17-16(19)11-23-14-8-6-13(7-9-14)18(20)21/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyVEHPOZGKXYLZDJ-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.30
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-2-(4-nitrophenoxy)acetamide

N-[(2-methoxyphenyl)methyl]-2-(4-nitrophenoxy)acetamide (PubChem CID 977884) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(4-nitrophenoxy)acetamide
PubChem CID977884
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(4-nitrophenoxy)acetamide
SMILESCOc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O5/c1-22-15-5-3-2-4-12(15)10-17-16(19)11-23-14-8-6-13(7-9-14)18(20)21/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyVEHPOZGKXYLZDJ-UHFFFAOYSA-N
XLogP2.30
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.30
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4-nitrophenoxy)acetamide (CID 977884) is N-[(2-methoxyphenyl)methyl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(4-nitrophenoxy)acetamide is COc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is VEHPOZGKXYLZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-22-15-5-3-2-4-12(15)10-17-16(19)11-23-14-8-6-13(7-9-14)18(20)21/h2-9H,10-11H2,1H3,(H,17,19).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(4-nitrophenoxy)acetamide?
N-[(2-methoxyphenyl)methyl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 316.31 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 977884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).