2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide

C20H23N3O4 — CID 6368206

IUPAC2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H23N3O4/c1-14(15-5-9-17(10-6-15)23(25)26)21-22-19(24)13-27-18-11-7-16(8-12-18)20(2,3)4/h5-12H,13H2,1-4H3,(H,22,24)/b21-14-
InChIKeyMVXRNEONDZMINK-STZFKDTASA-N
MW369.42 g/mol
LogP3.81
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide

2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide (PubChem CID 6368206) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
PubChem CID6368206
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H23N3O4/c1-14(15-5-9-17(10-6-15)23(25)26)21-22-19(24)13-27-18-11-7-16(8-12-18)20(2,3)4/h5-12H,13H2,1-4H3,(H,22,24)/b21-14-
InChIKeyMVXRNEONDZMINK-STZFKDTASA-N
XLogP3.81
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.81
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

2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 3480695
N-[1-(4-aminophenyl)ethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 909337
2-(4-tert-butylphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135560522
N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 6084898
N-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 1154035
4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3516509
N-[1-(4-nitrophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925773
5-chloro-N-[4-[(Z)-C-methyl-N-[[2-(4-nitrophenoxy)acetyl]amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 6028075
2-(2-cyanophenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 9467613
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 6938758
2-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide
CID 5187996
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenoxy)acetamide
CID 135560389

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide (CID 6368206) is 2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide?
The InChIKey is MVXRNEONDZMINK-STZFKDTASA-N. The full InChI is InChI=1S/C20H23N3O4/c1-14(15-5-9-17(10-6-15)23(25)26)21-22-19(24)13-27-18-11-7-16(8-12-18)20(2,3)4/h5-12H,13H2,1-4H3,(H,22,24)/b21-14-.
What are the key properties of 2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide?
2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide has a molecular weight of 369.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 6368206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).