1-[6-(dimethylamino)-3-(methoxymethoxy)naphthalen-2-yl]ethanone

C16H19NO3 — CID 153489902

IUPAC1-[6-(dimethylamino)-3-(methoxymethoxy)naphthalen-2-yl]ethanone
SMILESCOCOc1cc2cc(N(C)C)ccc2cc1C(C)=O
InChIInChI=1S/C16H19NO3/c1-11(18)15-8-12-5-6-14(17(2)3)7-13(12)9-16(15)20-10-19-4/h5-9H,10H2,1-4H3
InChIKeyNTULGUBMJGVRFY-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.09
Rot. Bonds5

About 1-[6-(dimethylamino)-3-(methoxymethoxy)naphthalen-2-yl]ethanone

1-[6-(dimethylamino)-3-(methoxymethoxy)naphthalen-2-yl]ethanone (PubChem CID 153489902) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-[6-(dimethylamino)-3-(methoxymethoxy)naphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-(dimethylamino)-3-(methoxymethoxy)naphthalen-2-yl]ethanone
PubChem CID153489902
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-[6-(dimethylamino)-3-(methoxymethoxy)naphthalen-2-yl]ethanone
SMILESCOCOc1cc2cc(N(C)C)ccc2cc1C(C)=O
InChIInChI=1S/C16H19NO3/c1-11(18)15-8-12-5-6-14(17(2)3)7-13(12)9-16(15)20-10-19-4/h5-9H,10H2,1-4H3
InChIKeyNTULGUBMJGVRFY-UHFFFAOYSA-N
XLogP3.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[5-iodo-2,4-bis(methoxymethoxy)phenyl]ethanone
CID 102126873
1-[6-(dimethylamino)naphthalen-2-yl]ethanone
CID 15333970
1-[6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-5-yl]ethanone
CID 24977225
3-[3-carboxy-6-(dimethylamino)naphthalene-2-carbonyl]oxycarbonyl-7-(dimethylamino)naphthalene-2-carboxylic acid
CID 87630345
1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone
CID 10935461
6-methoxy-N,N-dimethylnaphthalen-2-amine
CID 117043645
1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone
CID 22363866
1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone
CID 171781093
1-(3,6-dimethoxy-7-methylnaphthalen-2-yl)ethanone
CID 174193299
1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone
CID 167078284
1-[5-(dimethylamino)-2-methylphenyl]ethanone
CID 54505937
1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone
CID 177451598

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)-3-(methoxymethoxy)naphthalen-2-yl]ethanone?
The IUPAC name of 1-[6-(dimethylamino)-3-(methoxymethoxy)naphthalen-2-yl]ethanone (CID 153489902) is 1-[6-(dimethylamino)-3-(methoxymethoxy)naphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[6-(dimethylamino)-3-(methoxymethoxy)naphthalen-2-yl]ethanone?
The canonical SMILES for 1-[6-(dimethylamino)-3-(methoxymethoxy)naphthalen-2-yl]ethanone is COCOc1cc2cc(N(C)C)ccc2cc1C(C)=O.
What is the InChIKey of 1-[6-(dimethylamino)-3-(methoxymethoxy)naphthalen-2-yl]ethanone?
The InChIKey is NTULGUBMJGVRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11(18)15-8-12-5-6-14(17(2)3)7-13(12)9-16(15)20-10-19-4/h5-9H,10H2,1-4H3.
What are the key properties of 1-[6-(dimethylamino)-3-(methoxymethoxy)naphthalen-2-yl]ethanone?
1-[6-(dimethylamino)-3-(methoxymethoxy)naphthalen-2-yl]ethanone has a molecular weight of 273.33 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)-3-(methoxymethoxy)naphthalen-2-yl]ethanone is sourced from PubChem (CID 153489902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).