methyl 6-[[2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetyl]amino]hexanoate

C19H25NO5 — CID 155168644

IUPACmethyl 6-[[2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)COc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C19H25NO5/c1-24-19(23)8-3-2-4-11-20-18(22)13-25-15-9-10-16-14(12-15)6-5-7-17(16)21/h9-10,12H,2-8,11,13H2,1H3,(H,20,22)
InChIKeyFPPUCISUHDFWRK-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.43
Rot. Bonds9

About methyl 6-[[2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetyl]amino]hexanoate

methyl 6-[[2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetyl]amino]hexanoate (PubChem CID 155168644) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is methyl 6-[[2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[[2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetyl]amino]hexanoate
PubChem CID155168644
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Namemethyl 6-[[2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)COc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C19H25NO5/c1-24-19(23)8-3-2-4-11-20-18(22)13-25-15-9-10-16-14(12-15)6-5-7-17(16)21/h9-10,12H,2-8,11,13H2,1H3,(H,20,22)
InChIKeyFPPUCISUHDFWRK-UHFFFAOYSA-N
XLogP2.43
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 6-[[2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetyl]amino]hexanoate with MolForge

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Related Compounds

N-(3-methoxypropyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]acetamide
CID 104986087
2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide
CID 86976042
methyl 6-[[2-(4-chlorophenoxy)acetyl]amino]hexanoate
CID 43404589
6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 107508131
6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 62033294
2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]-N-(prop-2-enylcarbamoyl)acetamide
CID 51106504
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 26655876
6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
CID 71387522
N-fluoro-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]acetamide
CID 143296533
6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65210703
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetyl]amino]hexanoate?
The IUPAC name of methyl 6-[[2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetyl]amino]hexanoate (CID 155168644) is methyl 6-[[2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetyl]amino]hexanoate.
What is the SMILES notation for methyl 6-[[2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetyl]amino]hexanoate?
The canonical SMILES for methyl 6-[[2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetyl]amino]hexanoate is COC(=O)CCCCCNC(=O)COc1ccc2c(c1)CCCC2=O.
What is the InChIKey of methyl 6-[[2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetyl]amino]hexanoate?
The InChIKey is FPPUCISUHDFWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-24-19(23)8-3-2-4-11-20-18(22)13-25-15-9-10-16-14(12-15)6-5-7-17(16)21/h9-10,12H,2-8,11,13H2,1H3,(H,20,22).
What are the key properties of methyl 6-[[2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetyl]amino]hexanoate?
methyl 6-[[2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetyl]amino]hexanoate has a molecular weight of 347.41 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetyl]amino]hexanoate is sourced from PubChem (CID 155168644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).