2-(4-tert-butylphenyl)ethyl 2-formamidobenzoate

C20H23NO3 — CID 139594723

IUPAC2-(4-tert-butylphenyl)ethyl 2-formamidobenzoate
SMILESCC(C)(C)c1ccc(CCOC(=O)c2ccccc2NC=O)cc1
InChIInChI=1S/C20H23NO3/c1-20(2,3)16-10-8-15(9-11-16)12-13-24-19(23)17-6-4-5-7-18(17)21-14-22/h4-11,14H,12-13H2,1-3H3,(H,21,22)
InChIKeyDIOLSDIWIYNNOJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.95
Rot. Bonds6

About 2-(4-tert-butylphenyl)ethyl 2-formamidobenzoate

2-(4-tert-butylphenyl)ethyl 2-formamidobenzoate (PubChem CID 139594723) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)ethyl 2-formamidobenzoate.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)ethyl 2-formamidobenzoate
PubChem CID139594723
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-(4-tert-butylphenyl)ethyl 2-formamidobenzoate
SMILESCC(C)(C)c1ccc(CCOC(=O)c2ccccc2NC=O)cc1
InChIInChI=1S/C20H23NO3/c1-20(2,3)16-10-8-15(9-11-16)12-13-24-19(23)17-6-4-5-7-18(17)21-14-22/h4-11,14H,12-13H2,1-3H3,(H,21,22)
InChIKeyDIOLSDIWIYNNOJ-UHFFFAOYSA-N
XLogP3.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)ethyl 2-formamidobenzoate?
The IUPAC name of 2-(4-tert-butylphenyl)ethyl 2-formamidobenzoate (CID 139594723) is 2-(4-tert-butylphenyl)ethyl 2-formamidobenzoate.
What is the SMILES notation for 2-(4-tert-butylphenyl)ethyl 2-formamidobenzoate?
The canonical SMILES for 2-(4-tert-butylphenyl)ethyl 2-formamidobenzoate is CC(C)(C)c1ccc(CCOC(=O)c2ccccc2NC=O)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)ethyl 2-formamidobenzoate?
The InChIKey is DIOLSDIWIYNNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-20(2,3)16-10-8-15(9-11-16)12-13-24-19(23)17-6-4-5-7-18(17)21-14-22/h4-11,14H,12-13H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-tert-butylphenyl)ethyl 2-formamidobenzoate?
2-(4-tert-butylphenyl)ethyl 2-formamidobenzoate has a molecular weight of 325.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)ethyl 2-formamidobenzoate is sourced from PubChem (CID 139594723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).