2-(1-formylnaphthalen-2-yl)oxybutanamide

C15H15NO3 — CID 62901202

IUPAC2-(1-formylnaphthalen-2-yl)oxybutanamide
SMILESCCC(Oc1ccc2ccccc2c1C=O)C(N)=O
InChIInChI=1S/C15H15NO3/c1-2-13(15(16)18)19-14-8-7-10-5-3-4-6-11(10)12(14)9-17/h3-9,13H,2H2,1H3,(H2,16,18)
InChIKeyLSYSXLTWLNNFLG-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.30
Rot. Bonds5

About 2-(1-formylnaphthalen-2-yl)oxybutanamide

2-(1-formylnaphthalen-2-yl)oxybutanamide (PubChem CID 62901202) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(1-formylnaphthalen-2-yl)oxybutanamide.

Molecular Properties

Compound Name2-(1-formylnaphthalen-2-yl)oxybutanamide
PubChem CID62901202
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-(1-formylnaphthalen-2-yl)oxybutanamide
SMILESCCC(Oc1ccc2ccccc2c1C=O)C(N)=O
InChIInChI=1S/C15H15NO3/c1-2-13(15(16)18)19-14-8-7-10-5-3-4-6-11(10)12(14)9-17/h3-9,13H,2H2,1H3,(H2,16,18)
InChIKeyLSYSXLTWLNNFLG-UHFFFAOYSA-N
XLogP2.30
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.30
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

2-(2-formylphenoxy)butanamide
CID 62900622
(1-formylnaphthalen-2-yl) acetate
CID 2063426
(2R)-2-(1-formylnaphthalen-2-yl)oxy-N,N-dimethyl-2-phenylacetamide
CID 9415213
2-[1-(2-aminoethyl)naphthalen-2-yl]oxybutanoic acid
CID 64663403
2-(1-amino-1-oxobutan-2-yl)oxybenzamide
CID 62899921
2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde
CID 60884344
2-quinolin-8-yloxybutanamide
CID 62901439
(2R)-N-cyclopentyl-2-(1-formylnaphthalen-2-yl)oxypropanamide
CID 7763358
2-(trideuteriomethoxy)naphthalene-1-carbaldehyde
CID 163342997
(2S)-N-(4-bromophenyl)-2-(1-formylnaphthalen-2-yl)oxypropanamide
CID 7763312
(1-formylnaphthalen-2-yl) 2,2,2-trichloroacetate
CID 39199916
2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde
CID 10823964

Frequently Asked Questions

What is the IUPAC name of 2-(1-formylnaphthalen-2-yl)oxybutanamide?
The IUPAC name of 2-(1-formylnaphthalen-2-yl)oxybutanamide (CID 62901202) is 2-(1-formylnaphthalen-2-yl)oxybutanamide.
What is the SMILES notation for 2-(1-formylnaphthalen-2-yl)oxybutanamide?
The canonical SMILES for 2-(1-formylnaphthalen-2-yl)oxybutanamide is CCC(Oc1ccc2ccccc2c1C=O)C(N)=O.
What is the InChIKey of 2-(1-formylnaphthalen-2-yl)oxybutanamide?
The InChIKey is LSYSXLTWLNNFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-13(15(16)18)19-14-8-7-10-5-3-4-6-11(10)12(14)9-17/h3-9,13H,2H2,1H3,(H2,16,18).
What are the key properties of 2-(1-formylnaphthalen-2-yl)oxybutanamide?
2-(1-formylnaphthalen-2-yl)oxybutanamide has a molecular weight of 257.29 g/mol, XLogP of 2.30, 5 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)oxybutanamide is sourced from PubChem (CID 62901202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).