2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide

C18H21NO3 — CID 9010002

IUPAC2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1ccc2ccccc2c1C=O
InChIInChI=1S/C18H21NO3/c1-4-18(2,3)19-17(21)12-22-16-10-9-13-7-5-6-8-14(13)15(16)11-20/h5-11H,4,12H2,1-3H3,(H,19,21)
InChIKeyXIGSURJIXDYVSR-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.34
Rot. Bonds6

About 2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide

2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide (PubChem CID 9010002) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide
PubChem CID9010002
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1ccc2ccccc2c1C=O
InChIInChI=1S/C18H21NO3/c1-4-18(2,3)19-17(21)12-22-16-10-9-13-7-5-6-8-14(13)15(16)11-20/h5-11H,4,12H2,1-3H3,(H,19,21)
InChIKeyXIGSURJIXDYVSR-UHFFFAOYSA-N
XLogP3.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763278
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylphenyl)acetamide
CID 7763468
2-(1-formylnaphthalen-2-yl)oxy-N-naphthalen-1-ylacetamide
CID 7763473
2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide
CID 51140286
2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
CID 4737132
N-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763455
N-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763182
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763235
N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763592
2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 112611076
3-(1-formylnaphthalen-2-yl)oxy-N-methylpropanamide
CID 62326134
2-(1-formylnaphthalen-2-yl)oxy-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7763232

Frequently Asked Questions

What is the IUPAC name of 2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide (CID 9010002) is 2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)COc1ccc2ccccc2c1C=O.
What is the InChIKey of 2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is XIGSURJIXDYVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-4-18(2,3)19-17(21)12-22-16-10-9-13-7-5-6-8-14(13)15(16)11-20/h5-11H,4,12H2,1-3H3,(H,19,21).
What are the key properties of 2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide?
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 9010002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).