[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

C25H22N2O6 — CID 46613597

IUPAC[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCOc1ccc2cc(CN(C)C(=O)COC(=O)CN3C(=O)c4ccccc4C3=O)ccc2c1
InChIInChI=1S/C25H22N2O6/c1-26(13-16-7-8-18-12-19(32-2)10-9-17(18)11-16)22(28)15-33-23(29)14-27-24(30)20-5-3-4-6-21(20)25(27)31/h3-12H,13-15H2,1-2H3
InChIKeyVYUCPSAXNRKCPR-UHFFFAOYSA-N
MW446.46 g/mol
LogP2.65
Rot. Bonds7

About [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 46613597) has the molecular formula C25H22N2O6 and a molecular weight of 446.46 g/mol. Its IUPAC name is [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID46613597
Molecular FormulaC25H22N2O6
Molecular Weight446.46 g/mol
Exact Mass446.15
IUPAC Name[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCOc1ccc2cc(CN(C)C(=O)COC(=O)CN3C(=O)c4ccccc4C3=O)ccc2c1
InChIInChI=1S/C25H22N2O6/c1-26(13-16-7-8-18-12-19(32-2)10-9-17(18)11-16)22(28)15-33-23(29)14-27-24(30)20-5-3-4-6-21(20)25(27)31/h3-12H,13-15H2,1-2H3
InChIKeyVYUCPSAXNRKCPR-UHFFFAOYSA-N
XLogP2.65
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 52.65
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

[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 9346946
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate
CID 9011158
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155126
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (E)-but-2-enoate
CID 9080710
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8888791
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 55397822
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2381043
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate
CID 34579944
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 55385186
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate
CID 8846489
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 42006510

Frequently Asked Questions

What is the IUPAC name of [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (CID 46613597) is [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is COc1ccc2cc(CN(C)C(=O)COC(=O)CN3C(=O)c4ccccc4C3=O)ccc2c1.
What is the InChIKey of [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is VYUCPSAXNRKCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O6/c1-26(13-16-7-8-18-12-19(32-2)10-9-17(18)11-16)22(28)15-33-23(29)14-27-24(30)20-5-3-4-6-21(20)25(27)31/h3-12H,13-15H2,1-2H3.
What are the key properties of [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 446.46 g/mol, XLogP of 2.65, 7 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)methyl-methylamino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 46613597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).