[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-butoxybenzoate

C24H30N2O5 — CID 7844933

IUPAC[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-butoxybenzoate
SMILESCCCCOc1ccc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccccc2CC)cc1
InChIInChI=1S/C24H30N2O5/c1-4-6-15-30-20-13-11-19(12-14-20)24(29)31-17-23(28)26(3)16-22(27)25-21-10-8-7-9-18(21)5-2/h7-14H,4-6,15-17H2,1-3H3,(H,25,27)
InChIKeyRBPKJZSPPZZIEK-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.68
Rot. Bonds11

About [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-butoxybenzoate

[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-butoxybenzoate (PubChem CID 7844933) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-butoxybenzoate.

Molecular Properties

Compound Name[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-butoxybenzoate
PubChem CID7844933
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-butoxybenzoate
SMILESCCCCOc1ccc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccccc2CC)cc1
InChIInChI=1S/C24H30N2O5/c1-4-6-15-30-20-13-11-19(12-14-20)24(29)31-17-23(28)26(3)16-22(27)25-21-10-8-7-9-18(21)5-2/h7-14H,4-6,15-17H2,1-3H3,(H,25,27)
InChIKeyRBPKJZSPPZZIEK-UHFFFAOYSA-N
XLogP3.68
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2592276
N-(2-ethylphenyl)-2-[methyl-(2-phenoxyacetyl)amino]acetamide
CID 8699505
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2521220
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791734
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 8607609
N-(2-ethylphenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide
CID 78761830
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,4-dimethylbenzoate
CID 2544303
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 2662604
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-methoxybenzoate
CID 7862045
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515762
[2-(2-ethoxyanilino)-2-oxoethyl] 4-hexoxybenzoate
CID 7574754
2-[[2-(3,4-dichlorophenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2521635

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-butoxybenzoate?
The IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-butoxybenzoate (CID 7844933) is [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-butoxybenzoate.
What is the SMILES notation for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-butoxybenzoate?
The canonical SMILES for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-butoxybenzoate is CCCCOc1ccc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccccc2CC)cc1.
What is the InChIKey of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-butoxybenzoate?
The InChIKey is RBPKJZSPPZZIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-4-6-15-30-20-13-11-19(12-14-20)24(29)31-17-23(28)26(3)16-22(27)25-21-10-8-7-9-18(21)5-2/h7-14H,4-6,15-17H2,1-3H3,(H,25,27).
What are the key properties of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-butoxybenzoate?
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-butoxybenzoate has a molecular weight of 426.51 g/mol, XLogP of 3.68, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-butoxybenzoate is sourced from PubChem (CID 7844933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).