[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

C23H23NO6 — CID 2573563

IUPAC[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OCC(=O)Nc2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C23H23NO6/c1-27-19-10-15(11-20(28-2)23(19)29-3)12-22(26)30-14-21(25)24-18-9-8-16-6-4-5-7-17(16)13-18/h4-11,13H,12,14H2,1-3H3,(H,24,25)
InChIKeyDOUVJJHQLRATCJ-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.59
Rot. Bonds8

About [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 2573563) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID2573563
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OCC(=O)Nc2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C23H23NO6/c1-27-19-10-15(11-20(28-2)23(19)29-3)12-22(26)30-14-21(25)24-18-9-8-16-6-4-5-7-17(16)13-18/h4-11,13H,12,14H2,1-3H3,(H,24,25)
InChIKeyDOUVJJHQLRATCJ-UHFFFAOYSA-N
XLogP3.59
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608400
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2334921
[2-(4-chloro-3-nitroanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2573629
N-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2665020
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625312
[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 3907126
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827687
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828719
N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7914938
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767835
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2433645
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019343

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate (CID 2573563) is [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate is COc1cc(CC(=O)OCC(=O)Nc2ccc3ccccc3c2)cc(OC)c1OC.
What is the InChIKey of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is DOUVJJHQLRATCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6/c1-27-19-10-15(11-20(28-2)23(19)29-3)12-22(26)30-14-21(25)24-18-9-8-16-6-4-5-7-17(16)13-18/h4-11,13H,12,14H2,1-3H3,(H,24,25).
What are the key properties of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 409.44 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 2573563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).