2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide

C16H15N3O4 — CID 966530

IUPAC2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
SMILESCc1ccccc1OCC(=O)NN=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O4/c1-12-6-2-5-9-15(12)23-11-16(20)18-17-10-13-7-3-4-8-14(13)19(21)22/h2-10H,11H2,1H3,(H,18,20)
InChIKeyPUYILMSFHPLDKE-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.43
Rot. Bonds6

About 2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide

2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide (PubChem CID 966530) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
PubChem CID966530
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
SMILESCc1ccccc1OCC(=O)NN=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O4/c1-12-6-2-5-9-15(12)23-11-16(20)18-17-10-13-7-3-4-8-14(13)19(21)22/h2-10H,11H2,1H3,(H,18,20)
InChIKeyPUYILMSFHPLDKE-UHFFFAOYSA-N
XLogP2.43
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.43
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-(2-ethoxyphenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 6044087
2-(2-ethylphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 19182341
2-(4-chloro-2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 766399
2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 958366
2-(2-cyanophenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 9467550
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136757938
2-(3,5-dimethylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 966519
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332490
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7027645
2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6870627
[2-[(Z)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 5457549
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332460

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide (CID 966530) is 2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide is Cc1ccccc1OCC(=O)NN=Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide?
The InChIKey is PUYILMSFHPLDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-12-6-2-5-9-15(12)23-11-16(20)18-17-10-13-7-3-4-8-14(13)19(21)22/h2-10H,11H2,1H3,(H,18,20).
What are the key properties of 2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide?
2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide has a molecular weight of 313.31 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 966530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).