2-(4-tert-butylphenoxy)-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide

C19H21N3O5 — CID 25251574

IUPAC2-(4-tert-butylphenoxy)-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H21N3O5/c1-19(2,3)14-4-7-16(8-5-14)27-12-18(24)21-20-11-13-10-15(23)6-9-17(13)22(25)26/h4-11,23H,12H2,1-3H3,(H,21,24)/b20-11+
InChIKeyFERZPYXFPQBPOU-RGVLZGJSSA-N
MW371.39 g/mol
LogP3.13
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide

2-(4-tert-butylphenoxy)-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide (PubChem CID 25251574) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
PubChem CID25251574
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name2-(4-tert-butylphenoxy)-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H21N3O5/c1-19(2,3)14-4-7-16(8-5-14)27-12-18(24)21-20-11-13-10-15(23)6-9-17(13)22(25)26/h4-11,23H,12H2,1-3H3,(H,21,24)/b20-11+
InChIKeyFERZPYXFPQBPOU-RGVLZGJSSA-N
XLogP3.13
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-(4-tert-butylphenoxy)-N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]acetamide
CID 3097879
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 40520553
2-(3-chlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 5084295
N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide
CID 5447838
2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6870627
2-(2,4-dichlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 1246133
N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 135479489
2-(2-cyanophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 4079853
2-(4-tert-butylphenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 833741
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-2-[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 135588590
2-(4-tert-butylphenoxy)-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 4235876
2-(4-tert-butylphenoxy)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 19173269

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide (CID 25251574) is 2-(4-tert-butylphenoxy)-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide is CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide?
The InChIKey is FERZPYXFPQBPOU-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-19(2,3)14-4-7-16(8-5-14)27-12-18(24)21-20-11-13-10-15(23)6-9-17(13)22(25)26/h4-11,23H,12H2,1-3H3,(H,21,24)/b20-11+.
What are the key properties of 2-(4-tert-butylphenoxy)-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide?
2-(4-tert-butylphenoxy)-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide has a molecular weight of 371.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 25251574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).