N-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide

C22H22N2O2 — CID 927198

IUPACN-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NN=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C22H22N2O2/c1-16(2)17-10-12-20(13-11-17)26-15-22(25)24-23-14-19-8-5-7-18-6-3-4-9-21(18)19/h3-14,16H,15H2,1-2H3,(H,24,25)
InChIKeyTXQSJLZXTKJOTD-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.49
Rot. Bonds6

About N-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide

N-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 927198) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID927198
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NN=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C22H22N2O2/c1-16(2)17-10-12-20(13-11-17)26-15-22(25)24-23-14-19-8-5-7-18-6-3-4-9-21(18)19/h3-14,16H,15H2,1-2H3,(H,24,25)
InChIKeyTXQSJLZXTKJOTD-UHFFFAOYSA-N
XLogP4.49
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.49
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-[(E)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 135644246
2-(4-chloro-3-methylphenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 5229956
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 54784583
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 5420715
2-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5426214
N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 5420729
2-(2,3-dichlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 4059063
N'-(2-naphthalen-1-yloxyacetyl)-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502710
N-[(Z)-(2-methylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5428266
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide
CID 19190225
2-(4-ethoxyanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5421688
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-2-phenoxyacetamide
CID 4164317

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide (CID 927198) is N-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)NN=Cc2cccc3ccccc23)cc1.
What is the InChIKey of N-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is TXQSJLZXTKJOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16(2)17-10-12-20(13-11-17)26-15-22(25)24-23-14-19-8-5-7-18-6-3-4-9-21(18)19/h3-14,16H,15H2,1-2H3,(H,24,25).
What are the key properties of N-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide?
N-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 346.43 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 927198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).