2-(3-methoxy-4-nitrophenoxy)-N-(2-phenylethyl)acetamide

C17H18N2O5 — CID 48845561

IUPAC2-(3-methoxy-4-nitrophenoxy)-N-(2-phenylethyl)acetamide
SMILESCOc1cc(OCC(=O)NCCc2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O5/c1-23-16-11-14(7-8-15(16)19(21)22)24-12-17(20)18-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,18,20)
InChIKeyRAYGFIWPJHURLG-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.34
Rot. Bonds8

About 2-(3-methoxy-4-nitrophenoxy)-N-(2-phenylethyl)acetamide

2-(3-methoxy-4-nitrophenoxy)-N-(2-phenylethyl)acetamide (PubChem CID 48845561) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-(3-methoxy-4-nitrophenoxy)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxy-4-nitrophenoxy)-N-(2-phenylethyl)acetamide
PubChem CID48845561
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name2-(3-methoxy-4-nitrophenoxy)-N-(2-phenylethyl)acetamide
SMILESCOc1cc(OCC(=O)NCCc2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O5/c1-23-16-11-14(7-8-15(16)19(21)22)24-12-17(20)18-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,18,20)
InChIKeyRAYGFIWPJHURLG-UHFFFAOYSA-N
XLogP2.34
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.34
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

N-(3-aminopropyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 119406208
2-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 48850427
3-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700763
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406843
2-(3-methoxy-4-nitrophenoxy)acetic acid
CID 47002219
2-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]-2-methylpropanoic acid
CID 119187912
N-butyl-2-[[2-(3-methoxy-4-nitrophenoxy)acetyl]-(2-phenylethyl)amino]butanamide
CID 132722600
N-benzyl-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide
CID 48845505
2-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide
CID 30156679
2-(3-methoxy-4-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide
CID 48846843
2-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]propanoic acid
CID 119225842
2-(3-methoxy-4-nitrophenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 95164929

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-nitrophenoxy)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(3-methoxy-4-nitrophenoxy)-N-(2-phenylethyl)acetamide (CID 48845561) is 2-(3-methoxy-4-nitrophenoxy)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-methoxy-4-nitrophenoxy)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(3-methoxy-4-nitrophenoxy)-N-(2-phenylethyl)acetamide is COc1cc(OCC(=O)NCCc2ccccc2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methoxy-4-nitrophenoxy)-N-(2-phenylethyl)acetamide?
The InChIKey is RAYGFIWPJHURLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-23-16-11-14(7-8-15(16)19(21)22)24-12-17(20)18-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,18,20).
What are the key properties of 2-(3-methoxy-4-nitrophenoxy)-N-(2-phenylethyl)acetamide?
2-(3-methoxy-4-nitrophenoxy)-N-(2-phenylethyl)acetamide has a molecular weight of 330.34 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-nitrophenoxy)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 48845561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).