1-[6-(methylamino)naphthalen-2-yl]dodecan-1-one

C23H33NO — CID 68906004

IUPAC1-[6-(methylamino)naphthalen-2-yl]dodecan-1-one
SMILESCCCCCCCCCCCC(=O)c1ccc2cc(NC)ccc2c1
InChIInChI=1S/C23H33NO/c1-3-4-5-6-7-8-9-10-11-12-23(25)21-14-13-20-18-22(24-2)16-15-19(20)17-21/h13-18,24H,3-12H2,1-2H3
InChIKeyJTSJXBQENXQWCE-UHFFFAOYSA-N
MW339.52 g/mol
LogP6.99
Rot. Bonds12

About 1-[6-(methylamino)naphthalen-2-yl]dodecan-1-one

1-[6-(methylamino)naphthalen-2-yl]dodecan-1-one (PubChem CID 68906004) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is 1-[6-(methylamino)naphthalen-2-yl]dodecan-1-one.

Molecular Properties

Compound Name1-[6-(methylamino)naphthalen-2-yl]dodecan-1-one
PubChem CID68906004
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name1-[6-(methylamino)naphthalen-2-yl]dodecan-1-one
SMILESCCCCCCCCCCCC(=O)c1ccc2cc(NC)ccc2c1
InChIInChI=1S/C23H33NO/c1-3-4-5-6-7-8-9-10-11-12-23(25)21-14-13-20-18-22(24-2)16-15-19(20)17-21/h13-18,24H,3-12H2,1-2H3
InChIKeyJTSJXBQENXQWCE-UHFFFAOYSA-N
XLogP6.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(6-hydroxynaphthalen-2-yl)dodecan-1-one
CID 68907241
1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one
CID 172711928
1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
CID 608289
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-[6-[2-[6-[2-(6-hexanoylnaphthalen-2-yl)ethenyl]anthracen-2-yl]ethenyl]naphthalen-2-yl]hexan-1-one
CID 76589950
N-(4-nonanoylphenyl)acetamide
CID 65449309
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
1-(2,5,8,11-tetraoxatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-16-yl)octan-1-one
CID 102066958
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
1-(3,4-dimethylphenyl)undecan-1-one
CID 114968936
1-(3,4-dimethylphenyl)tetradecan-1-one
CID 146006499
1-(4-methoxyphenyl)nonan-1-one
CID 3628625

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methylamino)naphthalen-2-yl]dodecan-1-one?
The IUPAC name of 1-[6-(methylamino)naphthalen-2-yl]dodecan-1-one (CID 68906004) is 1-[6-(methylamino)naphthalen-2-yl]dodecan-1-one.
What is the SMILES notation for 1-[6-(methylamino)naphthalen-2-yl]dodecan-1-one?
The canonical SMILES for 1-[6-(methylamino)naphthalen-2-yl]dodecan-1-one is CCCCCCCCCCCC(=O)c1ccc2cc(NC)ccc2c1.
What is the InChIKey of 1-[6-(methylamino)naphthalen-2-yl]dodecan-1-one?
The InChIKey is JTSJXBQENXQWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-3-4-5-6-7-8-9-10-11-12-23(25)21-14-13-20-18-22(24-2)16-15-19(20)17-21/h13-18,24H,3-12H2,1-2H3.
What are the key properties of 1-[6-(methylamino)naphthalen-2-yl]dodecan-1-one?
1-[6-(methylamino)naphthalen-2-yl]dodecan-1-one has a molecular weight of 339.52 g/mol, XLogP of 6.99, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methylamino)naphthalen-2-yl]dodecan-1-one is sourced from PubChem (CID 68906004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).