N-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide

C18H19N3O6 — CID 8648202

IUPACN-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C18H19N3O6/c1-11-8-14(5-6-16(11)21(24)25)27-10-18(23)20-15-9-13(19-12(2)22)4-7-17(15)26-3/h4-9H,10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyBLKOLOMRZLIXTJ-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.89
Rot. Bonds7

About N-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide

N-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide (PubChem CID 8648202) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
PubChem CID8648202
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C18H19N3O6/c1-11-8-14(5-6-16(11)21(24)25)27-10-18(23)20-15-9-13(19-12(2)22)4-7-17(15)26-3/h4-9H,10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyBLKOLOMRZLIXTJ-UHFFFAOYSA-N
XLogP2.89
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406923
2-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide
CID 30156679
N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 8587959
2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 42068751
N-(5-acetamido-2-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510112
2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 1406826
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 27970560
N-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 30156711
N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 9019861
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406843
2-(3-methyl-4-nitrophenoxy)acetohydrazide
CID 2063569
N-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 30156792

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide (CID 8648202) is N-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide is COc1ccc(NC(C)=O)cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide?
The InChIKey is BLKOLOMRZLIXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-11-8-14(5-6-16(11)21(24)25)27-10-18(23)20-15-9-13(19-12(2)22)4-7-17(15)26-3/h4-9H,10H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide?
N-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide has a molecular weight of 373.37 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide is sourced from PubChem (CID 8648202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).