2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide

C18H20N2O5 — CID 31880593

IUPAC2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1
InChIInChI=1S/C18H20N2O5/c1-13-4-3-5-15(10-13)24-9-8-19-18(21)12-25-16-6-7-17(20(22)23)14(2)11-16/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,21)
InChIKeyJMQDLWMRJWBARM-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.79
Rot. Bonds8

About 2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide

2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide (PubChem CID 31880593) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
PubChem CID31880593
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1
InChIInChI=1S/C18H20N2O5/c1-13-4-3-5-15(10-13)24-9-8-19-18(21)12-25-16-6-7-17(20(22)23)14(2)11-16/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,21)
InChIKeyJMQDLWMRJWBARM-UHFFFAOYSA-N
XLogP2.79
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 8648147
2-(4-chloro-2-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9484953
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]propanoic acid
CID 53264025
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)acetamide
CID 8935101
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 40751132
2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide
CID 8648040
2-(3-methyl-4-nitrophenoxy)-N-(3-phenylsulfanylpropyl)acetamide
CID 8648025
3-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 7943194
2-(3-methyl-4-nitrophenoxy)-N-[(2-methylphenyl)methyl]acetamide
CID 51216495
2-(3-methyl-4-nitrophenoxy)acetohydrazide
CID 2063569
2-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174002

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide (CID 31880593) is 2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide is Cc1cccc(OCCNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1.
What is the InChIKey of 2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The InChIKey is JMQDLWMRJWBARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-13-4-3-5-15(10-13)24-9-8-19-18(21)12-25-16-6-7-17(20(22)23)14(2)11-16/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,21).
What are the key properties of 2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide?
2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide has a molecular weight of 344.37 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 31880593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).