[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate

C22H25NO3 — CID 7706361

IUPAC[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCc1cc(C)c(NC(=O)COC(=O)c2ccc3c(c2)CCCC3)c(C)c1
InChIInChI=1S/C22H25NO3/c1-14-10-15(2)21(16(3)11-14)23-20(24)13-26-22(25)19-9-8-17-6-4-5-7-18(17)12-19/h8-12H,4-7,13H2,1-3H3,(H,23,24)
InChIKeyQIVKTEHPGMDDTO-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.29
Rot. Bonds4

About [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 7706361) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
PubChem CID7706361
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCc1cc(C)c(NC(=O)COC(=O)c2ccc3c(c2)CCCC3)c(C)c1
InChIInChI=1S/C22H25NO3/c1-14-10-15(2)21(16(3)11-14)23-20(24)13-26-22(25)19-9-8-17-6-4-5-7-18(17)12-19/h8-12H,4-7,13H2,1-3H3,(H,23,24)
InChIKeyQIVKTEHPGMDDTO-UHFFFAOYSA-N
XLogP4.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate 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-methylanilino)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706159
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010637
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706593
[2-(4-fluoroanilino)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706173
[2-(3,5-dichloroanilino)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706306
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-methylbenzoate
CID 2640652
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 6-methylpyridine-3-carboxylate
CID 71823490
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(dimethylamino)benzoate
CID 8534561
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-butylbenzoate
CID 43018163
[2-(4-methoxyanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010530
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706658
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-methylbenzoate
CID 7695929

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 7706361) is [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate is Cc1cc(C)c(NC(=O)COC(=O)c2ccc3c(c2)CCCC3)c(C)c1.
What is the InChIKey of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The InChIKey is QIVKTEHPGMDDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-14-10-15(2)21(16(3)11-14)23-20(24)13-26-22(25)19-9-8-17-6-4-5-7-18(17)12-19/h8-12H,4-7,13H2,1-3H3,(H,23,24).
What are the key properties of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 7706361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).