N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide

C27H24N2O3 — CID 19183113

IUPACN-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESCc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C27H24N2O3/c1-20-6-8-22(9-7-20)18-31-25-13-10-21(11-14-25)17-28-29-27(30)19-32-26-15-12-23-4-2-3-5-24(23)16-26/h2-17H,18-19H2,1H3,(H,29,30)/b28-17+
InChIKeyJBPIQBAMELCWNS-OGLMXYFKSA-N
MW424.50 g/mol
LogP5.26
Rot. Bonds8

About N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide

N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide (PubChem CID 19183113) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide
PubChem CID19183113
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC NameN-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESCc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C27H24N2O3/c1-20-6-8-22(9-7-20)18-31-25-13-10-21(11-14-25)17-28-29-27(30)19-32-26-15-12-23-4-2-3-5-24(23)16-26/h2-17H,18-19H2,1H3,(H,29,30)/b28-17+
InChIKeyJBPIQBAMELCWNS-OGLMXYFKSA-N
XLogP5.26
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.26
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-(4-methylphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 5401746
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6149713
2-(4-bromo-3-methylphenoxy)-N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19190500
2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 3290188
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
2-(2-ethylphenoxy)-N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19183108
2-(4-methoxyphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6386524
N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 6106681
N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3610097
2-(2,5-dimethylphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3297073
2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19190499

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide (CID 19183113) is N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide is Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide?
The InChIKey is JBPIQBAMELCWNS-OGLMXYFKSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-20-6-8-22(9-7-20)18-31-25-13-10-21(11-14-25)17-28-29-27(30)19-32-26-15-12-23-4-2-3-5-24(23)16-26/h2-17H,18-19H2,1H3,(H,29,30)/b28-17+.
What are the key properties of N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide?
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide has a molecular weight of 424.50 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 19183113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).