N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-naphthalen-1-yloxyacetamide

C20H22N2O3 — CID 922131

IUPACN-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-naphthalen-1-yloxyacetamide
SMILESCC1(C)CC(=O)CC(=NNC(=O)COc2cccc3ccccc23)C1
InChIInChI=1S/C20H22N2O3/c1-20(2)11-15(10-16(23)12-20)21-22-19(24)13-25-18-9-5-7-14-6-3-4-8-17(14)18/h3-9H,10-13H2,1-2H3,(H,22,24)
InChIKeyPSJFXDYRUYHXKA-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.47
Rot. Bonds4

About N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-naphthalen-1-yloxyacetamide

N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-naphthalen-1-yloxyacetamide (PubChem CID 922131) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-naphthalen-1-yloxyacetamide
PubChem CID922131
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-naphthalen-1-yloxyacetamide
SMILESCC1(C)CC(=O)CC(=NNC(=O)COc2cccc3ccccc23)C1
InChIInChI=1S/C20H22N2O3/c1-20(2)11-15(10-16(23)12-20)21-22-19(24)13-25-18-9-5-7-14-6-3-4-8-17(14)18/h3-9H,10-13H2,1-2H3,(H,22,24)
InChIKeyPSJFXDYRUYHXKA-UHFFFAOYSA-N
XLogP3.47
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.47
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

N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922595
N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2,5-dimethylphenoxy)acetamide
CID 5419588
2-(4-bromo-3-methylphenoxy)-N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]acetamide
CID 6130309
N'-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-N-phenylbutanediamide
CID 5349687
2-(2-ethoxyphenoxy)-N-[(Z)-(3-oxocyclohexylidene)amino]acetamide
CID 6520128
2-naphthalen-1-yloxy-N-[(Z)-1-phenylethylideneamino]acetamide
CID 5404956
2-(2-methoxyphenoxy)-N-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide
CID 7689241
N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-hydroxybenzamide
CID 5183767
N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-methylbenzamide
CID 5398187
3-bromo-N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]benzamide
CID 769816
2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3274359
N'-acetyl-2-naphthalen-1-yloxyacetohydrazide
CID 922179

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-naphthalen-1-yloxyacetamide (CID 922131) is N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-naphthalen-1-yloxyacetamide is CC1(C)CC(=O)CC(=NNC(=O)COc2cccc3ccccc23)C1.
What is the InChIKey of N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-naphthalen-1-yloxyacetamide?
The InChIKey is PSJFXDYRUYHXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-20(2)11-15(10-16(23)12-20)21-22-19(24)13-25-18-9-5-7-14-6-3-4-8-17(14)18/h3-9H,10-13H2,1-2H3,(H,22,24).
What are the key properties of N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-naphthalen-1-yloxyacetamide?
N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-naphthalen-1-yloxyacetamide has a molecular weight of 338.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 922131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).