N-[(2,5-diethylphenyl)methyl]-2-(3-methoxy-4-nitrophenoxy)acetamide

C20H24N2O5 — CID 100517226

IUPACN-[(2,5-diethylphenyl)methyl]-2-(3-methoxy-4-nitrophenoxy)acetamide
SMILESCCc1ccc(CC)c(CNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c1
InChIInChI=1S/C20H24N2O5/c1-4-14-6-7-15(5-2)16(10-14)12-21-20(23)13-27-17-8-9-18(22(24)25)19(11-17)26-3/h6-11H,4-5,12-13H2,1-3H3,(H,21,23)
InChIKeyPPFZREMHSPILJR-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.42
Rot. Bonds9

About N-[(2,5-diethylphenyl)methyl]-2-(3-methoxy-4-nitrophenoxy)acetamide

N-[(2,5-diethylphenyl)methyl]-2-(3-methoxy-4-nitrophenoxy)acetamide (PubChem CID 100517226) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[(2,5-diethylphenyl)methyl]-2-(3-methoxy-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2,5-diethylphenyl)methyl]-2-(3-methoxy-4-nitrophenoxy)acetamide
PubChem CID100517226
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN-[(2,5-diethylphenyl)methyl]-2-(3-methoxy-4-nitrophenoxy)acetamide
SMILESCCc1ccc(CC)c(CNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c1
InChIInChI=1S/C20H24N2O5/c1-4-14-6-7-15(5-2)16(10-14)12-21-20(23)13-27-17-8-9-18(22(24)25)19(11-17)26-3/h6-11H,4-5,12-13H2,1-3H3,(H,21,23)
InChIKeyPPFZREMHSPILJR-UHFFFAOYSA-N
XLogP3.42
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.42
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-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 48850427
N-(3-aminopropyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 119406208
2-(3-methoxy-4-nitrophenoxy)-N-(2-phenylethyl)acetamide
CID 48845561
2-(3-methoxy-4-nitrophenoxy)acetic acid
CID 47002219
N-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 30156792
2-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]-2-methylpropanoic acid
CID 119187912
2-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]propanoic acid
CID 119225842
1-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119113831
2-(4-bromo-3,5-dimethylphenoxy)-N-[(2,5-diethylphenyl)methyl]acetamide
CID 100539021
N-[(2S)-1-aminopropan-2-yl]-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 120507649
3-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700763
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500657

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-diethylphenyl)methyl]-2-(3-methoxy-4-nitrophenoxy)acetamide?
The IUPAC name of N-[(2,5-diethylphenyl)methyl]-2-(3-methoxy-4-nitrophenoxy)acetamide (CID 100517226) is N-[(2,5-diethylphenyl)methyl]-2-(3-methoxy-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(2,5-diethylphenyl)methyl]-2-(3-methoxy-4-nitrophenoxy)acetamide?
The canonical SMILES for N-[(2,5-diethylphenyl)methyl]-2-(3-methoxy-4-nitrophenoxy)acetamide is CCc1ccc(CC)c(CNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c1.
What is the InChIKey of N-[(2,5-diethylphenyl)methyl]-2-(3-methoxy-4-nitrophenoxy)acetamide?
The InChIKey is PPFZREMHSPILJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-4-14-6-7-15(5-2)16(10-14)12-21-20(23)13-27-17-8-9-18(22(24)25)19(11-17)26-3/h6-11H,4-5,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-[(2,5-diethylphenyl)methyl]-2-(3-methoxy-4-nitrophenoxy)acetamide?
N-[(2,5-diethylphenyl)methyl]-2-(3-methoxy-4-nitrophenoxy)acetamide has a molecular weight of 372.42 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-diethylphenyl)methyl]-2-(3-methoxy-4-nitrophenoxy)acetamide is sourced from PubChem (CID 100517226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).