2-(2-benzoyloxyethylamino)ethyl benzoate

C18H19NO4 — CID 3084898

IUPAC2-(2-benzoyloxyethylamino)ethyl benzoate
SMILESO=C(OCCNCCOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO4/c20-17(15-7-3-1-4-8-15)22-13-11-19-12-14-23-18(21)16-9-5-2-6-10-16/h1-10,19H,11-14H2
InChIKeySSKKNVDGEGQKNN-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.29
Rot. Bonds8

About 2-(2-benzoyloxyethylamino)ethyl benzoate

2-(2-benzoyloxyethylamino)ethyl benzoate (PubChem CID 3084898) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-(2-benzoyloxyethylamino)ethyl benzoate.

Molecular Properties

Compound Name2-(2-benzoyloxyethylamino)ethyl benzoate
PubChem CID3084898
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name2-(2-benzoyloxyethylamino)ethyl benzoate
SMILESO=C(OCCNCCOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO4/c20-17(15-7-3-1-4-8-15)22-13-11-19-12-14-23-18(21)16-9-5-2-6-10-16/h1-10,19H,11-14H2
InChIKeySSKKNVDGEGQKNN-UHFFFAOYSA-N
XLogP2.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.29
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoyloxyethylamino)ethyl benzoate?
The IUPAC name of 2-(2-benzoyloxyethylamino)ethyl benzoate (CID 3084898) is 2-(2-benzoyloxyethylamino)ethyl benzoate.
What is the SMILES notation for 2-(2-benzoyloxyethylamino)ethyl benzoate?
The canonical SMILES for 2-(2-benzoyloxyethylamino)ethyl benzoate is O=C(OCCNCCOC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-benzoyloxyethylamino)ethyl benzoate?
The InChIKey is SSKKNVDGEGQKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c20-17(15-7-3-1-4-8-15)22-13-11-19-12-14-23-18(21)16-9-5-2-6-10-16/h1-10,19H,11-14H2.
What are the key properties of 2-(2-benzoyloxyethylamino)ethyl benzoate?
2-(2-benzoyloxyethylamino)ethyl benzoate has a molecular weight of 313.35 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoyloxyethylamino)ethyl benzoate is sourced from PubChem (CID 3084898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).