(3-acetamido-5-tert-butylphenyl) formate

C13H17NO3 — CID 88885766

IUPAC(3-acetamido-5-tert-butylphenyl) formate
SMILESCC(=O)Nc1cc(OC=O)cc(C(C)(C)C)c1
InChIInChI=1S/C13H17NO3/c1-9(16)14-11-5-10(13(2,3)4)6-12(7-11)17-8-15/h5-8H,1-4H3,(H,14,16)
InChIKeyGATOSPABNSFFPC-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.48
Rot. Bonds3

About (3-acetamido-5-tert-butylphenyl) formate

(3-acetamido-5-tert-butylphenyl) formate (PubChem CID 88885766) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (3-acetamido-5-tert-butylphenyl) formate.

Molecular Properties

Compound Name(3-acetamido-5-tert-butylphenyl) formate
PubChem CID88885766
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(3-acetamido-5-tert-butylphenyl) formate
SMILESCC(=O)Nc1cc(OC=O)cc(C(C)(C)C)c1
InChIInChI=1S/C13H17NO3/c1-9(16)14-11-5-10(13(2,3)4)6-12(7-11)17-8-15/h5-8H,1-4H3,(H,14,16)
InChIKeyGATOSPABNSFFPC-UHFFFAOYSA-N
XLogP2.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.48
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 (3-acetamido-5-tert-butylphenyl) formate?
The IUPAC name of (3-acetamido-5-tert-butylphenyl) formate (CID 88885766) is (3-acetamido-5-tert-butylphenyl) formate.
What is the SMILES notation for (3-acetamido-5-tert-butylphenyl) formate?
The canonical SMILES for (3-acetamido-5-tert-butylphenyl) formate is CC(=O)Nc1cc(OC=O)cc(C(C)(C)C)c1.
What is the InChIKey of (3-acetamido-5-tert-butylphenyl) formate?
The InChIKey is GATOSPABNSFFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(16)14-11-5-10(13(2,3)4)6-12(7-11)17-8-15/h5-8H,1-4H3,(H,14,16).
What are the key properties of (3-acetamido-5-tert-butylphenyl) formate?
(3-acetamido-5-tert-butylphenyl) formate has a molecular weight of 235.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamido-5-tert-butylphenyl) formate is sourced from PubChem (CID 88885766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).