tert-butyl N-[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-methyl-1-oxopropan-2-yl]carbamate

C19H32N2O3 — CID 71936214

IUPACtert-butyl N-[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC2CC3CC(C2)CC1C3
InChIInChI=1S/C19H32N2O3/c1-18(2,3)24-17(23)20-19(4,5)16(22)21-11-14-7-12-6-13(8-14)10-15(21)9-12/h12-15H,6-11H2,1-5H3,(H,20,23)
InChIKeyWVSZGYARGJDYDR-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.33
Rot. Bonds2

About tert-butyl N-[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-methyl-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-methyl-1-oxopropan-2-yl]carbamate (PubChem CID 71936214) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is tert-butyl N-[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-methyl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-methyl-1-oxopropan-2-yl]carbamate
PubChem CID71936214
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Nametert-butyl N-[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC2CC3CC(C2)CC1C3
InChIInChI=1S/C19H32N2O3/c1-18(2,3)24-17(23)20-19(4,5)16(22)21-11-14-7-12-6-13(8-14)10-15(21)9-12/h12-15H,6-11H2,1-5H3,(H,20,23)
InChIKeyWVSZGYARGJDYDR-UHFFFAOYSA-N
XLogP3.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-methyl-1-oxopropan-2-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-[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-methyl-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-methyl-1-oxopropan-2-yl]carbamate (CID 71936214) is tert-butyl N-[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-methyl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-methyl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-methyl-1-oxopropan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC2CC3CC(C2)CC1C3.
What is the InChIKey of tert-butyl N-[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-methyl-1-oxopropan-2-yl]carbamate?
The InChIKey is WVSZGYARGJDYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-18(2,3)24-17(23)20-19(4,5)16(22)21-11-14-7-12-6-13(8-14)10-15(21)9-12/h12-15H,6-11H2,1-5H3,(H,20,23).
What are the key properties of tert-butyl N-[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-methyl-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-methyl-1-oxopropan-2-yl]carbamate has a molecular weight of 336.48 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-methyl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 71936214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).