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

C16H16N2O5 — CID 30156679

IUPAC2-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide
SMILESCOc1cc(OCC(=O)Nc2ccccc2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H16N2O5/c1-11-5-3-4-6-13(11)17-16(19)10-23-12-7-8-14(18(20)21)15(9-12)22-2/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyCQTDWLZCNBOLLC-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.93
Rot. Bonds6

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

2-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide (PubChem CID 30156679) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide
PubChem CID30156679
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name2-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide
SMILESCOc1cc(OCC(=O)Nc2ccccc2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H16N2O5/c1-11-5-3-4-6-13(11)17-16(19)10-23-12-7-8-14(18(20)21)15(9-12)22-2/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyCQTDWLZCNBOLLC-UHFFFAOYSA-N
XLogP2.93
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.93
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-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 30156711
2-(3-methoxy-4-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide
CID 48846843
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide
CID 7818239
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
2-(3-methoxy-4-nitrophenoxy)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 95165026
N-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 30156792
2-(3-methoxy-4-nitrophenoxy)-N-(2-phenylethyl)acetamide
CID 48845561
N-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406923
2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide
CID 2991740
2-(3-methoxy-4-nitrophenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 95164929
2-(3-methoxy-4-nitrophenoxy)acetic acid
CID 47002219
N-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 8648202

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide (CID 30156679) is 2-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide is COc1cc(OCC(=O)Nc2ccccc2C)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide?
The InChIKey is CQTDWLZCNBOLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-11-5-3-4-6-13(11)17-16(19)10-23-12-7-8-14(18(20)21)15(9-12)22-2/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of 2-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide?
2-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide has a molecular weight of 316.31 g/mol, XLogP of 2.93, 6 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-methylphenyl)acetamide is sourced from PubChem (CID 30156679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).