[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-oxo-4-(4-pentylphenyl)butanoate

C28H36N2O5 — CID 42981679

IUPAC[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-oxo-4-(4-pentylphenyl)butanoate
SMILESCCCCCc1ccc(C(=O)CCC(=O)OCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C28H36N2O5/c1-5-6-7-8-22-9-11-23(12-10-22)24(31)13-14-27(34)35-18-26(33)29-17-25(32)30-28-20(3)15-19(2)16-21(28)4/h9-12,15-16H,5-8,13-14,17-18H2,1-4H3,(H,29,33)(H,30,32)
InChIKeyLSELBMCWNDXTHZ-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.61
Rot. Bonds13

About [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-oxo-4-(4-pentylphenyl)butanoate

[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-oxo-4-(4-pentylphenyl)butanoate (PubChem CID 42981679) has the molecular formula C28H36N2O5 and a molecular weight of 480.61 g/mol. Its IUPAC name is [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-oxo-4-(4-pentylphenyl)butanoate.

Molecular Properties

Compound Name[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-oxo-4-(4-pentylphenyl)butanoate
PubChem CID42981679
Molecular FormulaC28H36N2O5
Molecular Weight480.61 g/mol
Exact Mass480.26
IUPAC Name[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-oxo-4-(4-pentylphenyl)butanoate
SMILESCCCCCc1ccc(C(=O)CCC(=O)OCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C28H36N2O5/c1-5-6-7-8-22-9-11-23(12-10-22)24(31)13-14-27(34)35-18-26(33)29-17-25(32)30-28-20(3)15-19(2)16-21(28)4/h9-12,15-16H,5-8,13-14,17-18H2,1-4H3,(H,29,33)(H,30,32)
InChIKeyLSELBMCWNDXTHZ-UHFFFAOYSA-N
XLogP4.61
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-oxo-4-(4-pentylphenyl)butanoate with MolForge

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Related Compounds

[2-(carbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 7198067
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-butylbenzoate
CID 43018163
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-oxo-4-(4-propoxyphenyl)butanoate
CID 7189810
[2-(4-ethylanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 7198194
[2-(ethylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 7198076
ethyl 4-oxo-4-(4-pentylphenyl)butanoate
CID 24727550
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 4969587
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-methylbenzoate
CID 7695929
[2-(3,4-dimethylanilino)-2-oxoethyl] 4-oxo-4-(4-propylphenyl)butanoate
CID 7227164
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 27718932
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 4298194
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7764238

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-oxo-4-(4-pentylphenyl)butanoate?
The IUPAC name of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-oxo-4-(4-pentylphenyl)butanoate (CID 42981679) is [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-oxo-4-(4-pentylphenyl)butanoate.
What is the SMILES notation for [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-oxo-4-(4-pentylphenyl)butanoate?
The canonical SMILES for [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-oxo-4-(4-pentylphenyl)butanoate is CCCCCc1ccc(C(=O)CCC(=O)OCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-oxo-4-(4-pentylphenyl)butanoate?
The InChIKey is LSELBMCWNDXTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O5/c1-5-6-7-8-22-9-11-23(12-10-22)24(31)13-14-27(34)35-18-26(33)29-17-25(32)30-28-20(3)15-19(2)16-21(28)4/h9-12,15-16H,5-8,13-14,17-18H2,1-4H3,(H,29,33)(H,30,32).
What are the key properties of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-oxo-4-(4-pentylphenyl)butanoate?
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-oxo-4-(4-pentylphenyl)butanoate has a molecular weight of 480.61 g/mol, XLogP of 4.61, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-oxo-4-(4-pentylphenyl)butanoate is sourced from PubChem (CID 42981679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).