2-(4-methoxyphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide

C21H16N2O4 — CID 6156122

IUPAC2-(4-methoxyphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
SMILESCOc1ccc(OCC(=O)N/N=C2\C(=O)c3cccc4cccc2c34)cc1
InChIInChI=1S/C21H16N2O4/c1-26-14-8-10-15(11-9-14)27-12-18(24)22-23-20-16-6-2-4-13-5-3-7-17(19(13)16)21(20)25/h2-11H,12H2,1H3,(H,22,24)/b23-20-
InChIKeySSRPPMYVUQWUNJ-ATJXCDBQSA-N
MW360.37 g/mol
LogP2.94
Rot. Bonds5

About 2-(4-methoxyphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide

2-(4-methoxyphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide (PubChem CID 6156122) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
PubChem CID6156122
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name2-(4-methoxyphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
SMILESCOc1ccc(OCC(=O)N/N=C2\C(=O)c3cccc4cccc2c34)cc1
InChIInChI=1S/C21H16N2O4/c1-26-14-8-10-15(11-9-14)27-12-18(24)22-23-20-16-6-2-4-13-5-3-7-17(19(13)16)21(20)25/h2-11H,12H2,1H3,(H,22,24)/b23-20-
InChIKeySSRPPMYVUQWUNJ-ATJXCDBQSA-N
XLogP2.94
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
CID 6910967
2-(3-fluorophenoxy)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
CID 6219304
N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide
CID 5091509
2-(4-methoxyphenoxy)-N-[(Z)-thiolan-3-ylideneamino]acetamide
CID 5400844
2-(4-cyanophenoxy)-N-(fluoren-9-ylideneamino)acetamide
CID 9316575
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
2-(4-methoxyphenoxy)-N-(propylideneamino)acetamide
CID 4633762
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 5393352
N-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6899366
2-(4-methoxyphenoxy)-N-(2-methylpropylideneamino)acetamide
CID 4632362
N-(fluoren-9-ylideneamino)-2-(4-methoxyanilino)acetamide
CID 7933106
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914096

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide (CID 6156122) is 2-(4-methoxyphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide is COc1ccc(OCC(=O)N/N=C2\C(=O)c3cccc4cccc2c34)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide?
The InChIKey is SSRPPMYVUQWUNJ-ATJXCDBQSA-N. The full InChI is InChI=1S/C21H16N2O4/c1-26-14-8-10-15(11-9-14)27-12-18(24)22-23-20-16-6-2-4-13-5-3-7-17(19(13)16)21(20)25/h2-11H,12H2,1H3,(H,22,24)/b23-20-.
What are the key properties of 2-(4-methoxyphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide?
2-(4-methoxyphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide has a molecular weight of 360.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide is sourced from PubChem (CID 6156122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).