2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide

C16H16N2O4 — CID 4930992

IUPAC2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C
InChIInChI=1S/C16H16N2O4/c1-11-3-8-15(9-12(11)2)22-10-16(19)17-13-4-6-14(7-5-13)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyHONLMWJJWDYVEN-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.23
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide

2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide (PubChem CID 4930992) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
PubChem CID4930992
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C
InChIInChI=1S/C16H16N2O4/c1-11-3-8-15(9-12(11)2)22-10-16(19)17-13-4-6-14(7-5-13)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyHONLMWJJWDYVEN-UHFFFAOYSA-N
XLogP3.23
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3,4-dimethylphenoxy)-N'-(4-nitrophenyl)acetohydrazide
CID 4682607
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 7316235
N-(4-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632419
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
N'-[2-(3,4-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3154306
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
N-(4-nitrophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 2791138
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 1295054
2-(3,4-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 19176250
2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide
CID 8579924

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide (CID 4930992) is 2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide is Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide?
The InChIKey is HONLMWJJWDYVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11-3-8-15(9-12(11)2)22-10-16(19)17-13-4-6-14(7-5-13)18(20)21/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide?
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide has a molecular weight of 300.31 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 4930992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).