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

C19H22N2O5 — CID 8648147

IUPACN-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide
SMILESCc1ccc(OCCNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c(C)c1
InChIInChI=1S/C19H22N2O5/c1-13-4-7-18(15(3)10-13)25-9-8-20-19(22)12-26-16-5-6-17(21(23)24)14(2)11-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,20,22)
InChIKeyYJYNTELDEFTMKA-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.09
Rot. Bonds8

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

N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide (PubChem CID 8648147) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide
PubChem CID8648147
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide
SMILESCc1ccc(OCCNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c(C)c1
InChIInChI=1S/C19H22N2O5/c1-13-4-7-18(15(3)10-13)25-9-8-20-19(22)12-26-16-5-6-17(21(23)24)14(2)11-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,20,22)
InChIKeyYJYNTELDEFTMKA-UHFFFAOYSA-N
XLogP3.09
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.09
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

2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31880593
3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]propanoic acid
CID 53264025
2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 9194409
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406843
2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide
CID 8648040
[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl] 4-nitrobenzoate
CID 9008510
2-(3-methyl-4-nitrophenoxy)acetohydrazide
CID 2063569
2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 31880526
2-(3-methyl-4-nitrophenoxy)-N-(3-phenylsulfanylpropyl)acetamide
CID 8648025
N-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406792
N-[2-(2,4-dimethylphenoxy)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 100558204
2-(3-methyl-4-nitrophenoxy)-N-[(2-methylphenyl)methyl]acetamide
CID 51216495

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide?
The IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide (CID 8648147) is N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide?
The canonical SMILES for N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide is Cc1ccc(OCCNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide?
The InChIKey is YJYNTELDEFTMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-13-4-7-18(15(3)10-13)25-9-8-20-19(22)12-26-16-5-6-17(21(23)24)14(2)11-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide?
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide has a molecular weight of 358.39 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide is sourced from PubChem (CID 8648147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).