[2-[2-[[2-(4-ethylbenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 4-ethylbenzoate

C24H28N2O6 — CID 24677728

IUPAC[2-[2-[[2-(4-ethylbenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)NCCNC(=O)COC(=O)c2ccc(CC)cc2)cc1
InChIInChI=1S/C24H28N2O6/c1-3-17-5-9-19(10-6-17)23(29)31-15-21(27)25-13-14-26-22(28)16-32-24(30)20-11-7-18(4-2)8-12-20/h5-12H,3-4,13-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyZCNLRUOCUCSMHY-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.06
Rot. Bonds11

About [2-[2-[[2-(4-ethylbenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 4-ethylbenzoate

[2-[2-[[2-(4-ethylbenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 4-ethylbenzoate (PubChem CID 24677728) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is [2-[2-[[2-(4-ethylbenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 4-ethylbenzoate.

Molecular Properties

Compound Name[2-[2-[[2-(4-ethylbenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 4-ethylbenzoate
PubChem CID24677728
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Name[2-[2-[[2-(4-ethylbenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)NCCNC(=O)COC(=O)c2ccc(CC)cc2)cc1
InChIInChI=1S/C24H28N2O6/c1-3-17-5-9-19(10-6-17)23(29)31-15-21(27)25-13-14-26-22(28)16-32-24(30)20-11-7-18(4-2)8-12-20/h5-12H,3-4,13-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyZCNLRUOCUCSMHY-UHFFFAOYSA-N
XLogP2.06
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[[2-(4-ethylbenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 4-ethylbenzoate?
The IUPAC name of [2-[2-[[2-(4-ethylbenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 4-ethylbenzoate (CID 24677728) is [2-[2-[[2-(4-ethylbenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 4-ethylbenzoate.
What is the SMILES notation for [2-[2-[[2-(4-ethylbenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 4-ethylbenzoate?
The canonical SMILES for [2-[2-[[2-(4-ethylbenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 4-ethylbenzoate is CCc1ccc(C(=O)OCC(=O)NCCNC(=O)COC(=O)c2ccc(CC)cc2)cc1.
What is the InChIKey of [2-[2-[[2-(4-ethylbenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 4-ethylbenzoate?
The InChIKey is ZCNLRUOCUCSMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-3-17-5-9-19(10-6-17)23(29)31-15-21(27)25-13-14-26-22(28)16-32-24(30)20-11-7-18(4-2)8-12-20/h5-12H,3-4,13-16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of [2-[2-[[2-(4-ethylbenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 4-ethylbenzoate?
[2-[2-[[2-(4-ethylbenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 4-ethylbenzoate has a molecular weight of 440.50 g/mol, XLogP of 2.06, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[[2-(4-ethylbenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 4-ethylbenzoate is sourced from PubChem (CID 24677728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).