[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate

C23H27NO3 — CID 8535723

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C23H27NO3/c1-3-18-10-6-7-16(2)23(18)24-21(25)15-27-22(26)14-17-11-12-19-8-4-5-9-20(19)13-17/h6-7,10-13H,3-5,8-9,14-15H2,1-2H3,(H,24,25)
InChIKeyROYWHYUEMMMNHE-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.16
Rot. Bonds6

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate (PubChem CID 8535723) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
PubChem CID8535723
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C23H27NO3/c1-3-18-10-6-7-16(2)23(18)24-21(25)15-27-22(26)14-17-11-12-19-8-4-5-9-20(19)13-17/h6-7,10-13H,3-5,8-9,14-15H2,1-2H3,(H,24,25)
InChIKeyROYWHYUEMMMNHE-UHFFFAOYSA-N
XLogP4.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7234926
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2080510
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727542
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983325
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 8655103
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenoxy)acetate
CID 2467910
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 1191215
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840226
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556286
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556336
2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 16556750

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate (CID 8535723) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate is CCc1cccc(C)c1NC(=O)COC(=O)Cc1ccc2c(c1)CCCC2.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The InChIKey is ROYWHYUEMMMNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-3-18-10-6-7-16(2)23(18)24-21(25)15-27-22(26)14-17-11-12-19-8-4-5-9-20(19)13-17/h6-7,10-13H,3-5,8-9,14-15H2,1-2H3,(H,24,25).
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate has a molecular weight of 365.47 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate is sourced from PubChem (CID 8535723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).