2-ethoxyethyl 2-formamidobenzoate

C12H15NO4 — CID 54536697

IUPAC2-ethoxyethyl 2-formamidobenzoate
SMILESCCOCCOC(=O)c1ccccc1NC=O
InChIInChI=1S/C12H15NO4/c1-2-16-7-8-17-12(15)10-5-3-4-6-11(10)13-9-14/h3-6,9H,2,7-8H2,1H3,(H,13,14)
InChIKeyZAGZKVQETWUXCE-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.45
Rot. Bonds7

About 2-ethoxyethyl 2-formamidobenzoate

2-ethoxyethyl 2-formamidobenzoate (PubChem CID 54536697) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-ethoxyethyl 2-formamidobenzoate.

Molecular Properties

Compound Name2-ethoxyethyl 2-formamidobenzoate
PubChem CID54536697
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-ethoxyethyl 2-formamidobenzoate
SMILESCCOCCOC(=O)c1ccccc1NC=O
InChIInChI=1S/C12H15NO4/c1-2-16-7-8-17-12(15)10-5-3-4-6-11(10)13-9-14/h3-6,9H,2,7-8H2,1H3,(H,13,14)
InChIKeyZAGZKVQETWUXCE-UHFFFAOYSA-N
XLogP1.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethoxy)ethyl 2-aminobenzoate
CID 82096864
2-ethoxyethyl 2-azidobenzoate
CID 13464506
N,N-diethyl-2-formamidobenzamide
CID 168652158
ethyl 2-formamido-3-methylbenzoate
CID 168653246
3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate
CID 103403616
2-formamido-N,N-dimethylbenzamide
CID 64992505
2-iodoethyl 2-(methylamino)benzoate
CID 25050917
ethyl 2-(propanoylamino)benzoate
CID 4190428
2-oxoethyl 2-(methylamino)benzoate
CID 143044559
ethyl 2-(propylamino)benzoate
CID 15662762
2-[2-(propylamino)ethoxy]ethyl 2-methylbenzoate
CID 82532614
2-phenylethyl 2-acetamidobenzoate
CID 150228635

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-formamidobenzoate?
The IUPAC name of 2-ethoxyethyl 2-formamidobenzoate (CID 54536697) is 2-ethoxyethyl 2-formamidobenzoate.
What is the SMILES notation for 2-ethoxyethyl 2-formamidobenzoate?
The canonical SMILES for 2-ethoxyethyl 2-formamidobenzoate is CCOCCOC(=O)c1ccccc1NC=O.
What is the InChIKey of 2-ethoxyethyl 2-formamidobenzoate?
The InChIKey is ZAGZKVQETWUXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-2-16-7-8-17-12(15)10-5-3-4-6-11(10)13-9-14/h3-6,9H,2,7-8H2,1H3,(H,13,14).
What are the key properties of 2-ethoxyethyl 2-formamidobenzoate?
2-ethoxyethyl 2-formamidobenzoate has a molecular weight of 237.25 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-formamidobenzoate is sourced from PubChem (CID 54536697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).