2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide

C18H19N3O4 — CID 9467219

IUPAC2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
SMILESCc1cc(C)c(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C18H19N3O4/c1-12-8-13(2)15(14(3)9-12)10-19-20-18(22)11-25-17-7-5-4-6-16(17)21(23)24/h4-10H,11H2,1-3H3,(H,20,22)/b19-10-
InChIKeyHGLICQBDYFWIPX-GRSHGNNSSA-N
MW341.37 g/mol
LogP3.05
Rot. Bonds6

About 2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide

2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide (PubChem CID 9467219) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
PubChem CID9467219
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
SMILESCc1cc(C)c(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C18H19N3O4/c1-12-8-13(2)15(14(3)9-12)10-19-20-18(22)11-25-17-7-5-4-6-16(17)21(23)24/h4-10H,11H2,1-3H3,(H,20,22)/b19-10-
InChIKeyHGLICQBDYFWIPX-GRSHGNNSSA-N
XLogP3.05
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7027645
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9467225
2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 966530
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1040215
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136757938
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332490
2-(2-nitrophenoxy)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5457712
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136773662
2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 922557
2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 5331243
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136664097
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7038077

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide (CID 9467219) is 2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide is Cc1cc(C)c(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c(C)c1.
What is the InChIKey of 2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide?
The InChIKey is HGLICQBDYFWIPX-GRSHGNNSSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12-8-13(2)15(14(3)9-12)10-19-20-18(22)11-25-17-7-5-4-6-16(17)21(23)24/h4-10H,11H2,1-3H3,(H,20,22)/b19-10-.
What are the key properties of 2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide?
2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide has a molecular weight of 341.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 9467219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).