2-(2-ethoxyethoxy)ethyl 2-aminobenzoate

C13H19NO4 — CID 82096864

IUPAC2-(2-ethoxyethoxy)ethyl 2-aminobenzoate
SMILESCCOCCOCCOC(=O)c1ccccc1N
InChIInChI=1S/C13H19NO4/c1-2-16-7-8-17-9-10-18-13(15)11-5-3-4-6-12(11)14/h3-6H,2,7-10,14H2,1H3
InChIKeyBURFKWRRRLYQME-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.48
Rot. Bonds8

About 2-(2-ethoxyethoxy)ethyl 2-aminobenzoate

2-(2-ethoxyethoxy)ethyl 2-aminobenzoate (PubChem CID 82096864) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl 2-aminobenzoate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl 2-aminobenzoate
PubChem CID82096864
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-(2-ethoxyethoxy)ethyl 2-aminobenzoate
SMILESCCOCCOCCOC(=O)c1ccccc1N
InChIInChI=1S/C13H19NO4/c1-2-16-7-8-17-9-10-18-13(15)11-5-3-4-6-12(11)14/h3-6H,2,7-10,14H2,1H3
InChIKeyBURFKWRRRLYQME-UHFFFAOYSA-N
XLogP1.48
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylbutoxy)ethyl 2-aminobenzoate
CID 54956515
dodecyl 2-aminobenzoate
CID 5095316
2-ethoxyethyl 2-amino-5-iodobenzoate
CID 63111541
2-[2-[[6-[2-[2-(2-aminobenzoyl)oxyethoxy]ethylamino]-6-oxohexanoyl]amino]ethoxy]ethyl 2-aminobenzoate
CID 70585208
3-methoxypropyl 2-aminobenzoate
CID 61278385
2-trimethylsilylethyl 2-aminobenzoate
CID 154264553
3-hydroxypentyl 2-aminobenzoate
CID 141469821
2-ethoxyethyl 2-azidobenzoate
CID 13464506
2-ethoxyethyl 2-formamidobenzoate
CID 54536697
2-ethoxyethyl 3-aminopyridine-2-carboxylate
CID 115867339
2-ethoxyethyl 2-amino-6-methoxybenzoate
CID 81414860
pent-3-enyl 2-aminobenzoate
CID 85151102

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl 2-aminobenzoate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl 2-aminobenzoate (CID 82096864) is 2-(2-ethoxyethoxy)ethyl 2-aminobenzoate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl 2-aminobenzoate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl 2-aminobenzoate is CCOCCOCCOC(=O)c1ccccc1N.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl 2-aminobenzoate?
The InChIKey is BURFKWRRRLYQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-2-16-7-8-17-9-10-18-13(15)11-5-3-4-6-12(11)14/h3-6H,2,7-10,14H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)ethyl 2-aminobenzoate?
2-(2-ethoxyethoxy)ethyl 2-aminobenzoate has a molecular weight of 253.30 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl 2-aminobenzoate is sourced from PubChem (CID 82096864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).