2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide

C19H21N3O4 — CID 7571540

IUPAC2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(C(C)C)cc1
InChIInChI=1S/C19H21N3O4/c1-13(2)15-8-10-16(11-9-15)14(3)20-21-19(23)12-26-18-7-5-4-6-17(18)22(24)25/h4-11,13H,12H2,1-3H3,(H,21,23)/b20-14-
InChIKeyFXAOOXBTVGGHDV-ZHZULCJRSA-N
MW355.39 g/mol
LogP3.64
Rot. Bonds7

About 2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide

2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide (PubChem CID 7571540) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
PubChem CID7571540
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(C(C)C)cc1
InChIInChI=1S/C19H21N3O4/c1-13(2)15-8-10-16(11-9-15)14(3)20-21-19(23)12-26-18-7-5-4-6-17(18)22(24)25/h4-11,13H,12H2,1-3H3,(H,21,23)/b20-14-
InChIKeyFXAOOXBTVGGHDV-ZHZULCJRSA-N
XLogP3.64
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.64
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)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9467197
2-(2-nitrophenoxy)-N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]acetamide
CID 9466938
N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9466904
2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide
CID 2847875
2-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 758143
2-(2-nitrophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 7916925
2-(2-cyanophenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 9467613
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7761399
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 135811597
2-(2-nitrophenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 7720091
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 135609478
2-(2-nitrophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
CID 44726598

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide (CID 7571540) is 2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide?
The InChIKey is FXAOOXBTVGGHDV-ZHZULCJRSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13(2)15-8-10-16(11-9-15)14(3)20-21-19(23)12-26-18-7-5-4-6-17(18)22(24)25/h4-11,13H,12H2,1-3H3,(H,21,23)/b20-14-.
What are the key properties of 2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide?
2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide has a molecular weight of 355.39 g/mol, XLogP of 3.64, 7 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)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 7571540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).