2-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide

C16H15N3O4 — CID 5404935

IUPAC2-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
SMILESCc1ccc(OCC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H15N3O4/c1-12-5-7-15(8-6-12)23-11-16(20)18-17-10-13-3-2-4-14(9-13)19(21)22/h2-10H,11H2,1H3,(H,18,20)/b17-10-
InChIKeyVOILCDWKWDGESI-YVLHZVERSA-N
MW313.31 g/mol
LogP2.43
Rot. Bonds6

About 2-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide

2-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide (PubChem CID 5404935) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
PubChem CID5404935
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name2-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
SMILESCc1ccc(OCC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H15N3O4/c1-12-5-7-15(8-6-12)23-11-16(20)18-17-10-13-3-2-4-14(9-13)19(21)22/h2-10H,11H2,1H3,(H,18,20)/b17-10-
InChIKeyVOILCDWKWDGESI-YVLHZVERSA-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-(4-methoxyphenoxy)-N-[(3-nitrophenyl)methylideneamino]acetamide
CID 774611
2-(4-chlorophenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6870633
2-(4-iodophenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 5334791
2-(2,5-dimethylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6898857
2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-nitrophenyl)methylideneamino]acetamide
CID 5230409
2-(3-methoxyphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 19208624
2-(4-butylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6873068
[3-[[[2-(4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 1238281
2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 968439
propyl 4-[2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 4927284
N-(4-methylphenyl)-N'-[(3-nitrophenyl)methylideneamino]butanediamide
CID 3524333
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide (CID 5404935) is 2-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is Cc1ccc(OCC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
The InChIKey is VOILCDWKWDGESI-YVLHZVERSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-12-5-7-15(8-6-12)23-11-16(20)18-17-10-13-3-2-4-14(9-13)19(21)22/h2-10H,11H2,1H3,(H,18,20)/b17-10-.
What are the key properties of 2-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
2-(4-methylphenoxy)-N-[(Z)-(3-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-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 5404935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).