N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(3-nitrophenoxy)acetamide

C18H20N2O6 — CID 55890710

IUPACN-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(3-nitrophenoxy)acetamide
SMILESCOCCOc1cc(C)ccc1NC(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H20N2O6/c1-13-6-7-16(17(10-13)25-9-8-24-2)19-18(21)12-26-15-5-3-4-14(11-15)20(22)23/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,21)
InChIKeyNGRFLBYDFADKHD-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.95
Rot. Bonds9

About N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(3-nitrophenoxy)acetamide

N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(3-nitrophenoxy)acetamide (PubChem CID 55890710) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(3-nitrophenoxy)acetamide
PubChem CID55890710
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC NameN-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(3-nitrophenoxy)acetamide
SMILESCOCCOc1cc(C)ccc1NC(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H20N2O6/c1-13-6-7-16(17(10-13)25-9-8-24-2)19-18(21)12-26-15-5-3-4-14(11-15)20(22)23/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,21)
InChIKeyNGRFLBYDFADKHD-UHFFFAOYSA-N
XLogP2.95
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-iodo-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865526
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853568
N-(2-ethoxy-4-methylphenyl)-2-(3-methylphenoxy)acetamide
CID 87027069
N-(3-chloro-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865374
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 55890839
N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide
CID 17169805
2-[[2-(3-nitrophenoxy)acetyl]amino]benzoic acid
CID 877684
2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7865146
N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide
CID 7865411
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853551
N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide
CID 7865410
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(3-nitrophenoxy)acetamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(3-nitrophenoxy)acetamide (CID 55890710) is N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(3-nitrophenoxy)acetamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(3-nitrophenoxy)acetamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(3-nitrophenoxy)acetamide is COCCOc1cc(C)ccc1NC(=O)COc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(3-nitrophenoxy)acetamide?
The InChIKey is NGRFLBYDFADKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-13-6-7-16(17(10-13)25-9-8-24-2)19-18(21)12-26-15-5-3-4-14(11-15)20(22)23/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(3-nitrophenoxy)acetamide?
N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(3-nitrophenoxy)acetamide has a molecular weight of 360.37 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(3-nitrophenoxy)acetamide is sourced from PubChem (CID 55890710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).