2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide

C16H15N3O5 — CID 6870627

IUPAC2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
SMILESCOc1ccc(OCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O5/c1-23-13-6-8-14(9-7-13)24-11-16(20)18-17-10-12-4-2-3-5-15(12)19(21)22/h2-10H,11H2,1H3,(H,18,20)/b17-10+
InChIKeyKGELBFAPFHWBJA-LICLKQGHSA-N
MW329.31 g/mol
LogP2.13
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide

2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide (PubChem CID 6870627) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
PubChem CID6870627
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
SMILESCOc1ccc(OCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O5/c1-23-13-6-8-14(9-7-13)24-11-16(20)18-17-10-12-4-2-3-5-15(12)19(21)22/h2-10H,11H2,1H3,(H,18,20)/b17-10+
InChIKeyKGELBFAPFHWBJA-LICLKQGHSA-N
XLogP2.13
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
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-(3,5-dimethylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 966519
2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 966530
2-(2-ethoxyphenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 6044087
2-(3-chlorophenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 7039264
2-(2-ethylphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 19182341
N-(4-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamide
CID 19660912
methyl 2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9217614
2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 912843
2-(4-methoxyphenoxy)-N-[(3-nitrophenyl)methylideneamino]acetamide
CID 774611
2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 958366
[2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 5410556
2-(2-cyanophenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 9467550

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide (CID 6870627) is 2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide is COc1ccc(OCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide?
The InChIKey is KGELBFAPFHWBJA-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-23-13-6-8-14(9-7-13)24-11-16(20)18-17-10-12-4-2-3-5-15(12)19(21)22/h2-10H,11H2,1H3,(H,18,20)/b17-10+.
What are the key properties of 2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide?
2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide has a molecular weight of 329.31 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 6870627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).