2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide

C17H18N2O5 — CID 18076412

IUPAC2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(OCC(=O)NC(C)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O5/c1-12(13-6-4-3-5-7-13)18-17(20)11-24-16-9-8-14(23-2)10-15(16)19(21)22/h3-10,12H,11H2,1-2H3,(H,18,20)
InChIKeyHWYVBTMCALFHFH-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.86
Rot. Bonds7

About 2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide

2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide (PubChem CID 18076412) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide
PubChem CID18076412
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(OCC(=O)NC(C)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O5/c1-12(13-6-4-3-5-7-13)18-17(20)11-24-16-9-8-14(23-2)10-15(16)19(21)22/h3-10,12H,11H2,1-2H3,(H,18,20)
InChIKeyHWYVBTMCALFHFH-UHFFFAOYSA-N
XLogP2.86
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.86
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-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7991131
N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 9338576
N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78487834
methyl (2R)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate
CID 9338767
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 2565835
N-[(2R)-heptan-2-yl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 9338696
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-formyl-2-nitrophenoxy)acetamide
CID 8640953
2-(3-methoxyphenoxy)-N-(1-phenylethyl)acetamide
CID 19204047
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 7719046
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
CID 94843850

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide (CID 18076412) is 2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide is COc1ccc(OCC(=O)NC(C)c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide?
The InChIKey is HWYVBTMCALFHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-12(13-6-4-3-5-7-13)18-17(20)11-24-16-9-8-14(23-2)10-15(16)19(21)22/h3-10,12H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide?
2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide has a molecular weight of 330.34 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 18076412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).