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

C27H28N2O5 — CID 42980224

IUPAC[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylmethoxybenzoate
SMILESCc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2ccc(OCc3ccccc3)cc2)c(C)c1
InChIInChI=1S/C27H28N2O5/c1-18-13-19(2)26(20(3)14-18)29-24(30)15-28-25(31)17-34-27(32)22-9-11-23(12-10-22)33-16-21-7-5-4-6-8-21/h4-14H,15-17H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyNVTNUVOAKXGOLX-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.10
Rot. Bonds9

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

[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylmethoxybenzoate (PubChem CID 42980224) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylmethoxybenzoate
PubChem CID42980224
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC Name[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylmethoxybenzoate
SMILESCc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2ccc(OCc3ccccc3)cc2)c(C)c1
InChIInChI=1S/C27H28N2O5/c1-18-13-19(2)26(20(3)14-18)29-24(30)15-28-25(31)17-34-27(32)22-9-11-23(12-10-22)33-16-21-7-5-4-6-8-21/h4-14H,15-17H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyNVTNUVOAKXGOLX-UHFFFAOYSA-N
XLogP4.10
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264252
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylbenzoate
CID 42980133
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-methylbenzoate
CID 7695929
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-chlorobenzoate
CID 7483934
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-formylbenzoate
CID 7669047
2-[[2-(4-phenoxyphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26080587
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-methylsulfonylbenzoate
CID 55310625
[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264093
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-(furan-2-carbonylamino)benzoate
CID 27764342
benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 78775976
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468795
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] pyridine-2-carboxylate
CID 7477161

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylmethoxybenzoate?
The IUPAC name of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylmethoxybenzoate (CID 42980224) is [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylmethoxybenzoate.
What is the SMILES notation for [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylmethoxybenzoate?
The canonical SMILES for [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylmethoxybenzoate is Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2ccc(OCc3ccccc3)cc2)c(C)c1.
What is the InChIKey of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylmethoxybenzoate?
The InChIKey is NVTNUVOAKXGOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5/c1-18-13-19(2)26(20(3)14-18)29-24(30)15-28-25(31)17-34-27(32)22-9-11-23(12-10-22)33-16-21-7-5-4-6-8-21/h4-14H,15-17H2,1-3H3,(H,28,31)(H,29,30).
What are the key properties of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylmethoxybenzoate?
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylmethoxybenzoate has a molecular weight of 460.53 g/mol, XLogP of 4.10, 9 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-phenylmethoxybenzoate is sourced from PubChem (CID 42980224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).