N-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide

C18H20N2O5 — CID 2935158

IUPACN-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCOc1ccc(NC(=O)COc2cc(C)cc(C)c2C)c([N+](=O)[O-])c1
InChIInChI=1S/C18H20N2O5/c1-11-7-12(2)13(3)17(8-11)25-10-18(21)19-15-6-5-14(24-4)9-16(15)20(22)23/h5-9H,10H2,1-4H3,(H,19,21)
InChIKeyIYUGFJVJOOIOJO-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.55
Rot. Bonds6

About N-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide

N-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide (PubChem CID 2935158) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide
PubChem CID2935158
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCOc1ccc(NC(=O)COc2cc(C)cc(C)c2C)c([N+](=O)[O-])c1
InChIInChI=1S/C18H20N2O5/c1-11-7-12(2)13(3)17(8-11)25-10-18(21)19-15-6-5-14(24-4)9-16(15)20(22)23/h5-9H,10H2,1-4H3,(H,19,21)
InChIKeyIYUGFJVJOOIOJO-UHFFFAOYSA-N
XLogP3.55
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.55
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-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 18870453
2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19170502
2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7867384
2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19202489
N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 2915919
2-(1-bromonaphthalen-2-yl)oxy-N-(4-methoxy-2-nitrophenyl)acetamide
CID 2960961
2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 46786988
N-(4-methoxy-2-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578589
N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78765457
3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide
CID 2975661
N-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827015
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide (CID 2935158) is N-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide is COc1ccc(NC(=O)COc2cc(C)cc(C)c2C)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The InChIKey is IYUGFJVJOOIOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-11-7-12(2)13(3)17(8-11)25-10-18(21)19-15-6-5-14(24-4)9-16(15)20(22)23/h5-9H,10H2,1-4H3,(H,19,21).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide?
N-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide has a molecular weight of 344.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 2935158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).