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

C16H16N2O5 — CID 2500657

IUPACN-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
SMILESCOc1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O5/c1-22-13-8-6-12(7-9-13)10-17-16(19)11-23-15-5-3-2-4-14(15)18(20)21/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyZPBBVZFHONGSSB-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.30
Rot. Bonds7

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

N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide (PubChem CID 2500657) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
PubChem CID2500657
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
SMILESCOc1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O5/c1-22-13-8-6-12(7-9-13)10-17-16(19)11-23-15-5-3-2-4-14(15)18(20)21/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyZPBBVZFHONGSSB-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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Related Compounds

2-(4-methoxyphenyl)-N'-[2-(2-nitrophenoxy)acetyl]acetohydrazide
CID 4931201
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 743835
2-(2-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 16544819
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 46446745
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
2-(2,6-dimethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7612549
2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 43822964
2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2711623
N-[(4-methoxyphenyl)methyl]-1-(2-nitrophenoxy)cyclobutane-1-carboxamide
CID 102230369
N,N-dimethyl-3-[[[2-(2-nitrophenoxy)acetyl]amino]methyl]benzamide
CID 46424502
N-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473645
N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500531

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide (CID 2500657) is N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide is COc1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide?
The InChIKey is ZPBBVZFHONGSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-22-13-8-6-12(7-9-13)10-17-16(19)11-23-15-5-3-2-4-14(15)18(20)21/h2-9H,10-11H2,1H3,(H,17,19).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide?
N-[(4-methoxyphenyl)methyl]-2-(2-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-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 2500657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).