N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide

C22H22N2O2 — CID 4609255

IUPACN-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESCC(=NNC(=O)COc1ccc2ccccc2c1)c1ccc(C)c(C)c1
InChIInChI=1S/C22H22N2O2/c1-15-8-9-19(12-16(15)2)17(3)23-24-22(25)14-26-21-11-10-18-6-4-5-7-20(18)13-21/h4-13H,14H2,1-3H3,(H,24,25)
InChIKeyPHOBKLVXXWPBMM-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.38
Rot. Bonds5

About N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide

N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide (PubChem CID 4609255) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
PubChem CID4609255
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESCC(=NNC(=O)COc1ccc2ccccc2c1)c1ccc(C)c(C)c1
InChIInChI=1S/C22H22N2O2/c1-15-8-9-19(12-16(15)2)17(3)23-24-22(25)14-26-21-11-10-18-6-4-5-7-20(18)13-21/h4-13H,14H2,1-3H3,(H,24,25)
InChIKeyPHOBKLVXXWPBMM-UHFFFAOYSA-N
XLogP4.38
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.38
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-[1-(4-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4109084
2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 71950740
2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide
CID 41290636
N-(1-naphthalen-2-ylethylideneamino)-2-phenoxyacetamide
CID 913446
N-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4133967
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9241816
2-naphthalen-2-yloxy-N-(propan-2-ylideneamino)acetamide
CID 5204578
2-naphthalen-2-yloxy-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6534039
N-[4-[C-methyl-N-[(2-naphthalen-2-yloxyacetyl)amino]carbonimidoyl]phenyl]cyclopropanecarboxamide
CID 3584141
N-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4583055
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9467197
2-(3,4-dimethylphenoxy)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]acetamide
CID 71893960

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide (CID 4609255) is N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide is CC(=NNC(=O)COc1ccc2ccccc2c1)c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide?
The InChIKey is PHOBKLVXXWPBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-8-9-19(12-16(15)2)17(3)23-24-22(25)14-26-21-11-10-18-6-4-5-7-20(18)13-21/h4-13H,14H2,1-3H3,(H,24,25).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide?
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide has a molecular weight of 346.43 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 4609255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).