tert-butyl N-(4-propan-2-yloxan-3-yl)carbamate

C13H25NO3 — CID 58067197

IUPACtert-butyl N-(4-propan-2-yloxan-3-yl)carbamate
SMILESCC(C)C1CCOCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-9(2)10-6-7-16-8-11(10)14-12(15)17-13(3,4)5/h9-11H,6-8H2,1-5H3,(H,14,15)
InChIKeyYRLODLFCAIFFBE-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.57
Rot. Bonds2

About tert-butyl N-(4-propan-2-yloxan-3-yl)carbamate

tert-butyl N-(4-propan-2-yloxan-3-yl)carbamate (PubChem CID 58067197) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl N-(4-propan-2-yloxan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-propan-2-yloxan-3-yl)carbamate
PubChem CID58067197
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl N-(4-propan-2-yloxan-3-yl)carbamate
SMILESCC(C)C1CCOCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-9(2)10-6-7-16-8-11(10)14-12(15)17-13(3,4)5/h9-11H,6-8H2,1-5H3,(H,14,15)
InChIKeyYRLODLFCAIFFBE-UHFFFAOYSA-N
XLogP2.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(4-propan-2-yloxan-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-propan-2-yloxan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(4-propan-2-yloxan-3-yl)carbamate (CID 58067197) is tert-butyl N-(4-propan-2-yloxan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-propan-2-yloxan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-propan-2-yloxan-3-yl)carbamate is CC(C)C1CCOCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-propan-2-yloxan-3-yl)carbamate?
The InChIKey is YRLODLFCAIFFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-9(2)10-6-7-16-8-11(10)14-12(15)17-13(3,4)5/h9-11H,6-8H2,1-5H3,(H,14,15).
What are the key properties of tert-butyl N-(4-propan-2-yloxan-3-yl)carbamate?
tert-butyl N-(4-propan-2-yloxan-3-yl)carbamate has a molecular weight of 243.35 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-propan-2-yloxan-3-yl)carbamate is sourced from PubChem (CID 58067197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).