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

C22H22N2O2 — CID 922560

IUPACN-(naphthalen-2-ylmethylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NN=Cc1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O2/c1-16(2)20-9-5-6-10-21(20)26-15-22(25)24-23-14-17-11-12-18-7-3-4-8-19(18)13-17/h3-14,16H,15H2,1-2H3,(H,24,25)
InChIKeyNLTNXBBBRHKSIF-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.49
Rot. Bonds6

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

N-(naphthalen-2-ylmethylideneamino)-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 922560) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethylideneamino)-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID922560
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-(naphthalen-2-ylmethylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NN=Cc1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O2/c1-16(2)20-9-5-6-10-21(20)26-15-22(25)24-23-14-17-11-12-18-7-3-4-8-19(18)13-17/h3-14,16H,15H2,1-2H3,(H,24,25)
InChIKeyNLTNXBBBRHKSIF-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

2-(2-ethoxyphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 7334062
N-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922539
N-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922562
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 135603999
2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 922557
2-(4-methylphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 5401746
N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 135603998
2-(2-bromo-4-tert-butylphenoxy)-N-(naphthalen-2-ylmethylideneamino)acetamide
CID 4922186
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5410642
N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 4980769
N-[(2,3-difluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 4924840
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 136914835

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylmethylideneamino)-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(naphthalen-2-ylmethylideneamino)-2-(2-propan-2-ylphenoxy)acetamide (CID 922560) is N-(naphthalen-2-ylmethylideneamino)-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(naphthalen-2-ylmethylideneamino)-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(naphthalen-2-ylmethylideneamino)-2-(2-propan-2-ylphenoxy)acetamide is CC(C)c1ccccc1OCC(=O)NN=Cc1ccc2ccccc2c1.
What is the InChIKey of N-(naphthalen-2-ylmethylideneamino)-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is NLTNXBBBRHKSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16(2)20-9-5-6-10-21(20)26-15-22(25)24-23-14-17-11-12-18-7-3-4-8-19(18)13-17/h3-14,16H,15H2,1-2H3,(H,24,25).
What are the key properties of N-(naphthalen-2-ylmethylideneamino)-2-(2-propan-2-ylphenoxy)acetamide?
N-(naphthalen-2-ylmethylideneamino)-2-(2-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-2-ylmethylideneamino)-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 922560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).