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

C24H24N2O5 — CID 8700775

IUPAC2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N(C)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C24H24N2O5/c1-17-4-6-18(7-5-17)15-25(2)24(27)16-31-23-13-10-20(26(28)29)14-22(23)19-8-11-21(30-3)12-9-19/h4-14H,15-16H2,1-3H3
InChIKeyZCIFSANDZDTZTH-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.62
Rot. Bonds8

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

2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-methyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 8700775) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-methyl-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID8700775
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N(C)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C24H24N2O5/c1-17-4-6-18(7-5-17)15-25(2)24(27)16-31-23-13-10-20(26(28)29)14-22(23)19-8-11-21(30-3)12-9-19/h4-14H,15-16H2,1-3H3
InChIKeyZCIFSANDZDTZTH-UHFFFAOYSA-N
XLogP4.62
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.62
H-Bond Donors ≤ 50
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-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methoxy-5-nitrophenoxy)-N-methylacetamide
CID 8566464
N-ethyl-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-phenylacetamide
CID 8700691
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-1-(5-methylthiophen-2-yl)ethanone
CID 8700798
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(3-methylphenyl)acetamide
CID 7519396
N-(cyclopropylmethyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-propylacetamide
CID 7991292
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 41476438
2-[[2-(4-methoxyphenyl)-4-nitrophenoxy]methyl]-1,4-dimethylbenzene
CID 7519959
4-methoxy-2-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethoxy]benzamide
CID 18143075
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide
CID 7991213
1-(3-fluoro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone
CID 7991333
1-(3,4-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone
CID 7519463
[2-(4-methoxyphenyl)-4-nitrophenyl] hydrogen carbonate
CID 22133672

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-methyl-N-[(4-methylphenyl)methyl]acetamide (CID 8700775) is 2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-methyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-methyl-N-[(4-methylphenyl)methyl]acetamide is COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N(C)Cc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is ZCIFSANDZDTZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-17-4-6-18(7-5-17)15-25(2)24(27)16-31-23-13-10-20(26(28)29)14-22(23)19-8-11-21(30-3)12-9-19/h4-14H,15-16H2,1-3H3.
What are the key properties of 2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-methyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 420.47 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-methyl-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 8700775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).