2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide

C24H23BrN2O3 — CID 6183485

IUPAC2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc2c(c1Br)CCCC2
InChIInChI=1S/C24H23BrN2O3/c1-29-21-12-10-16-6-2-4-8-18(16)20(21)14-26-27-23(28)15-30-22-13-11-17-7-3-5-9-19(17)24(22)25/h2,4,6,8,10-14H,3,5,7,9,15H2,1H3,(H,27,28)/b26-14-
InChIKeyMNGRESSYBARLOG-WGARJPEWSA-N
MW467.36 g/mol
LogP5.02
Rot. Bonds6

About 2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide

2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 6183485) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is 2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID6183485
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC Name2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc2c(c1Br)CCCC2
InChIInChI=1S/C24H23BrN2O3/c1-29-21-12-10-16-6-2-4-8-18(16)20(21)14-26-27-23(28)15-30-22-13-11-17-7-3-5-9-19(17)24(22)25/h2,4,6,8,10-14H,3,5,7,9,15H2,1H3,(H,27,28)/b26-14-
InChIKeyMNGRESSYBARLOG-WGARJPEWSA-N
XLogP5.02
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3351605
[1-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 3422848
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
CID 19208685
N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
CID 2265655
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 136750606
2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 6001406
[4-bromo-2-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 51060313
[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 4197800
2-(cyclohexylamino)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 126388807
[1-[[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
CID 3361671
2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 19190726
[1-[[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 4082807

Frequently Asked Questions

What is the IUPAC name of 2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide (CID 6183485) is 2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide is COc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc2c(c1Br)CCCC2.
What is the InChIKey of 2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is MNGRESSYBARLOG-WGARJPEWSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-29-21-12-10-16-6-2-4-8-18(16)20(21)14-26-27-23(28)15-30-22-13-11-17-7-3-5-9-19(17)24(22)25/h2,4,6,8,10-14H,3,5,7,9,15H2,1H3,(H,27,28)/b26-14-.
What are the key properties of 2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide?
2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 467.36 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 6183485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).