N-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide

C21H20N2O2 — CID 917804

IUPACN-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESCc1ccc(C=NNC(=O)COc2ccc3ccccc3c2)c(C)c1
InChIInChI=1S/C21H20N2O2/c1-15-7-8-19(16(2)11-15)13-22-23-21(24)14-25-20-10-9-17-5-3-4-6-18(17)12-20/h3-13H,14H2,1-2H3,(H,23,24)
InChIKeyYDFGQXYFIWTXNT-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.99
Rot. Bonds5

About N-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide

N-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide (PubChem CID 917804) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
PubChem CID917804
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESCc1ccc(C=NNC(=O)COc2ccc3ccccc3c2)c(C)c1
InChIInChI=1S/C21H20N2O2/c1-15-7-8-19(16(2)11-15)13-22-23-21(24)14-25-20-10-9-17-5-3-4-6-18(17)12-20/h3-13H,14H2,1-2H3,(H,23,24)
InChIKeyYDFGQXYFIWTXNT-UHFFFAOYSA-N
XLogP3.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(Z)-(2-methylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5428266
2-(4-bromophenoxy)-N-[(2,4-dimethylphenyl)methylideneamino]acetamide
CID 5120980
N-[(2,4-dimethylphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 917769
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide
CID 7928974
2-(4-methylphenoxy)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 867406
2-naphthalen-2-yloxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
CID 171978736
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5414113
2-(4-methylphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 5401746
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 19183113
N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 6005253
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3762152
[4-bromo-2-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 5200844

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide (CID 917804) is N-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide is Cc1ccc(C=NNC(=O)COc2ccc3ccccc3c2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
The InChIKey is YDFGQXYFIWTXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-15-7-8-19(16(2)11-15)13-22-23-21(24)14-25-20-10-9-17-5-3-4-6-18(17)12-20/h3-13H,14H2,1-2H3,(H,23,24).
What are the key properties of N-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
N-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide has a molecular weight of 332.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 917804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).