2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide

C22H20N2O5 — CID 7991213

IUPAC2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide
SMILESCOc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C22H20N2O5/c1-15-5-3-4-6-20(15)23-22(25)14-29-21-12-9-17(24(26)27)13-19(21)16-7-10-18(28-2)11-8-16/h3-13H,14H2,1-2H3,(H,23,25)
InChIKeyYNSMIQBSFSOHDC-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.60
Rot. Bonds7

About 2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide

2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide (PubChem CID 7991213) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide
PubChem CID7991213
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide
SMILESCOc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C22H20N2O5/c1-15-5-3-4-6-20(15)23-22(25)14-29-21-12-9-17(24(26)27)13-19(21)16-7-10-18(28-2)11-8-16/h3-13H,14H2,1-2H3,(H,23,25)
InChIKeyYNSMIQBSFSOHDC-UHFFFAOYSA-N
XLogP4.60
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.60
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-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(3-methylphenyl)acetamide
CID 7519396
N-(2,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide
CID 7519487
N-(2,6-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide
CID 8700662
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
N-(2-methylphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
CID 47073931
N-(3-chloro-4-cyanophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide
CID 18208967
2-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide
CID 30156679
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
N-ethyl-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-phenylacetamide
CID 8700691
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24523725
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-1-(5-methylthiophen-2-yl)ethanone
CID 8700798
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 8700775

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide (CID 7991213) is 2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide is COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2ccccc2C)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide?
The InChIKey is YNSMIQBSFSOHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-15-5-3-4-6-20(15)23-22(25)14-29-21-12-9-17(24(26)27)13-19(21)16-7-10-18(28-2)11-8-16/h3-13H,14H2,1-2H3,(H,23,25).
What are the key properties of 2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide?
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide has a molecular weight of 392.41 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 7991213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).