tert-butyl N-acetyl-N-pyridin-4-ylcarbamate

C12H16N2O3 — CID 69108647

IUPACtert-butyl N-acetyl-N-pyridin-4-ylcarbamate
SMILESCC(=O)N(C(=O)OC(C)(C)C)c1ccncc1
InChIInChI=1S/C12H16N2O3/c1-9(15)14(10-5-7-13-8-6-10)11(16)17-12(2,3)4/h5-8H,1-4H3
InChIKeyGBNLAQIEVVPLIT-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.37
Rot. Bonds1

About tert-butyl N-acetyl-N-pyridin-4-ylcarbamate

tert-butyl N-acetyl-N-pyridin-4-ylcarbamate (PubChem CID 69108647) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is tert-butyl N-acetyl-N-pyridin-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-acetyl-N-pyridin-4-ylcarbamate
PubChem CID69108647
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nametert-butyl N-acetyl-N-pyridin-4-ylcarbamate
SMILESCC(=O)N(C(=O)OC(C)(C)C)c1ccncc1
InChIInChI=1S/C12H16N2O3/c1-9(15)14(10-5-7-13-8-6-10)11(16)17-12(2,3)4/h5-8H,1-4H3
InChIKeyGBNLAQIEVVPLIT-UHFFFAOYSA-N
XLogP2.37
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-acetyl-N-pyridin-4-ylcarbamate?
The IUPAC name of tert-butyl N-acetyl-N-pyridin-4-ylcarbamate (CID 69108647) is tert-butyl N-acetyl-N-pyridin-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-acetyl-N-pyridin-4-ylcarbamate?
The canonical SMILES for tert-butyl N-acetyl-N-pyridin-4-ylcarbamate is CC(=O)N(C(=O)OC(C)(C)C)c1ccncc1.
What is the InChIKey of tert-butyl N-acetyl-N-pyridin-4-ylcarbamate?
The InChIKey is GBNLAQIEVVPLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9(15)14(10-5-7-13-8-6-10)11(16)17-12(2,3)4/h5-8H,1-4H3.
What are the key properties of tert-butyl N-acetyl-N-pyridin-4-ylcarbamate?
tert-butyl N-acetyl-N-pyridin-4-ylcarbamate has a molecular weight of 236.27 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-acetyl-N-pyridin-4-ylcarbamate is sourced from PubChem (CID 69108647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).