tert-butyl N-[(4-pyrrolidin-3-ylphenyl)methyl]carbamate

C16H24N2O2 — CID 19959052

IUPACtert-butyl N-[(4-pyrrolidin-3-ylphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C2CCNC2)cc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-12-4-6-13(7-5-12)14-8-9-17-11-14/h4-7,14,17H,8-11H2,1-3H3,(H,18,19)
InChIKeyUIBFXLJQHUNGDD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.79
Rot. Bonds3

About tert-butyl N-[(4-pyrrolidin-3-ylphenyl)methyl]carbamate

tert-butyl N-[(4-pyrrolidin-3-ylphenyl)methyl]carbamate (PubChem CID 19959052) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl N-[(4-pyrrolidin-3-ylphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-pyrrolidin-3-ylphenyl)methyl]carbamate
PubChem CID19959052
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl N-[(4-pyrrolidin-3-ylphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C2CCNC2)cc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-12-4-6-13(7-5-12)14-8-9-17-11-14/h4-7,14,17H,8-11H2,1-3H3,(H,18,19)
InChIKeyUIBFXLJQHUNGDD-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(4-pyrrolidin-3-ylphenyl)methyl]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-pyrrolidin-3-ylphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-pyrrolidin-3-ylphenyl)methyl]carbamate (CID 19959052) is tert-butyl N-[(4-pyrrolidin-3-ylphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-pyrrolidin-3-ylphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-pyrrolidin-3-ylphenyl)methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(C2CCNC2)cc1.
What is the InChIKey of tert-butyl N-[(4-pyrrolidin-3-ylphenyl)methyl]carbamate?
The InChIKey is UIBFXLJQHUNGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-12-4-6-13(7-5-12)14-8-9-17-11-14/h4-7,14,17H,8-11H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[(4-pyrrolidin-3-ylphenyl)methyl]carbamate?
tert-butyl N-[(4-pyrrolidin-3-ylphenyl)methyl]carbamate has a molecular weight of 276.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-pyrrolidin-3-ylphenyl)methyl]carbamate is sourced from PubChem (CID 19959052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).