2-(4-bromonaphthalen-1-yl)oxy-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide

C23H24BrN3O2 — CID 41271374

IUPAC2-(4-bromonaphthalen-1-yl)oxy-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
SMILESCCN(CC)c1ccc(C=NNC(=O)COc2ccc(Br)c3ccccc23)cc1
InChIInChI=1S/C23H24BrN3O2/c1-3-27(4-2)18-11-9-17(10-12-18)15-25-26-23(28)16-29-22-14-13-21(24)19-7-5-6-8-20(19)22/h5-15H,3-4,16H2,1-2H3,(H,26,28)
InChIKeyDWUBBCSIIOIESK-UHFFFAOYSA-N
MW454.37 g/mol
LogP4.98
Rot. Bonds8

About 2-(4-bromonaphthalen-1-yl)oxy-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide

2-(4-bromonaphthalen-1-yl)oxy-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide (PubChem CID 41271374) has the molecular formula C23H24BrN3O2 and a molecular weight of 454.37 g/mol. Its IUPAC name is 2-(4-bromonaphthalen-1-yl)oxy-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromonaphthalen-1-yl)oxy-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
PubChem CID41271374
Molecular FormulaC23H24BrN3O2
Molecular Weight454.37 g/mol
Exact Mass453.11
IUPAC Name2-(4-bromonaphthalen-1-yl)oxy-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
SMILESCCN(CC)c1ccc(C=NNC(=O)COc2ccc(Br)c3ccccc23)cc1
InChIInChI=1S/C23H24BrN3O2/c1-3-27(4-2)18-11-9-17(10-12-18)15-25-26-23(28)16-29-22-14-13-21(24)19-7-5-6-8-20(19)22/h5-15H,3-4,16H2,1-2H3,(H,26,28)
InChIKeyDWUBBCSIIOIESK-UHFFFAOYSA-N
XLogP4.98
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.37
LogP ≤ 54.98
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-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 5089742
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 6066854
2-(2-bromo-4-nitrophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 1165506
2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 4633368
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 773201
2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3274359
2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135419996
2-(4-bromonaphthalen-1-yl)oxy-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 129437793
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499
2-(2-bromo-4-ethylphenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 4627721
2-(4-bromonaphthalen-1-yl)oxy-N-(1-phenylethylideneamino)acetamide
CID 1153983
2-(2-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135610844

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromonaphthalen-1-yl)oxy-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(4-bromonaphthalen-1-yl)oxy-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide (CID 41271374) is 2-(4-bromonaphthalen-1-yl)oxy-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromonaphthalen-1-yl)oxy-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromonaphthalen-1-yl)oxy-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide is CCN(CC)c1ccc(C=NNC(=O)COc2ccc(Br)c3ccccc23)cc1.
What is the InChIKey of 2-(4-bromonaphthalen-1-yl)oxy-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide?
The InChIKey is DWUBBCSIIOIESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O2/c1-3-27(4-2)18-11-9-17(10-12-18)15-25-26-23(28)16-29-22-14-13-21(24)19-7-5-6-8-20(19)22/h5-15H,3-4,16H2,1-2H3,(H,26,28).
What are the key properties of 2-(4-bromonaphthalen-1-yl)oxy-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide?
2-(4-bromonaphthalen-1-yl)oxy-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide has a molecular weight of 454.37 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromonaphthalen-1-yl)oxy-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 41271374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).