[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate

C24H19NO6 — CID 23827826

IUPAC[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCOc1ccc2cc(C(=O)COC(=O)C(C)N3C(=O)c4ccccc4C3=O)ccc2c1
InChIInChI=1S/C24H19NO6/c1-14(25-22(27)19-5-3-4-6-20(19)23(25)28)24(29)31-13-21(26)17-8-7-16-12-18(30-2)10-9-15(16)11-17/h3-12,14H,13H2,1-2H3
InChIKeyWMSBOOICTDKEEP-UHFFFAOYSA-N
MW417.42 g/mol
LogP3.26
Rot. Bonds6

About [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate

[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 23827826) has the molecular formula C24H19NO6 and a molecular weight of 417.42 g/mol. Its IUPAC name is [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Name[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID23827826
Molecular FormulaC24H19NO6
Molecular Weight417.42 g/mol
Exact Mass417.12
IUPAC Name[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCOc1ccc2cc(C(=O)COC(=O)C(C)N3C(=O)c4ccccc4C3=O)ccc2c1
InChIInChI=1S/C24H19NO6/c1-14(25-22(27)19-5-3-4-6-20(19)23(25)28)24(29)31-13-21(26)17-8-7-16-12-18(30-2)10-9-15(16)11-17/h3-12,14H,13H2,1-2H3
InChIKeyWMSBOOICTDKEEP-UHFFFAOYSA-N
XLogP3.26
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

phenacyl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 695300
[2-(3-methoxyphenyl)-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 51919964
[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926289
[2-(4-nitrophenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 1311205
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926827
[2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-3-(4-hydroxyphenyl)propanoate
CID 1216664
2-oxopropyl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 42970136
[4-[2-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]oxyacetyl]phenyl] 3-methoxybenzoate
CID 19646025
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 46508926
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2S)-1-[2-(4-methoxyanilino)-2-oxoethoxy]-1-oxopropan-2-yl]-1,3-dioxoisoindole-5-carboxylate
CID 7905163
(4-propanoylphenyl) 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 19170750
(1,3-dioxoisoindol-2-yl) 6-methoxynaphthalene-2-carboxylate
CID 122221274

Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate (CID 23827826) is [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate is COc1ccc2cc(C(=O)COC(=O)C(C)N3C(=O)c4ccccc4C3=O)ccc2c1.
What is the InChIKey of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is WMSBOOICTDKEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO6/c1-14(25-22(27)19-5-3-4-6-20(19)23(25)28)24(29)31-13-21(26)17-8-7-16-12-18(30-2)10-9-15(16)11-17/h3-12,14H,13H2,1-2H3.
What are the key properties of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate?
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 417.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 23827826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).