tert-butyl N-methyl-N-(4-phenylpyrrolidin-3-yl)carbamate

C16H24N2O2 — CID 59312404

IUPACtert-butyl N-methyl-N-(4-phenylpyrrolidin-3-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CNCC1c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18(4)14-11-17-10-13(14)12-8-6-5-7-9-12/h5-9,13-14,17H,10-11H2,1-4H3
InChIKeyZXAWLTOIYWGQLC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.61
Rot. Bonds2

About tert-butyl N-methyl-N-(4-phenylpyrrolidin-3-yl)carbamate

tert-butyl N-methyl-N-(4-phenylpyrrolidin-3-yl)carbamate (PubChem CID 59312404) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(4-phenylpyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(4-phenylpyrrolidin-3-yl)carbamate
PubChem CID59312404
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl N-methyl-N-(4-phenylpyrrolidin-3-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CNCC1c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18(4)14-11-17-10-13(14)12-8-6-5-7-9-12/h5-9,13-14,17H,10-11H2,1-4H3
InChIKeyZXAWLTOIYWGQLC-UHFFFAOYSA-N
XLogP2.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(4-phenylpyrrolidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(4-phenylpyrrolidin-3-yl)carbamate (CID 59312404) is tert-butyl N-methyl-N-(4-phenylpyrrolidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(4-phenylpyrrolidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(4-phenylpyrrolidin-3-yl)carbamate is CN(C(=O)OC(C)(C)C)C1CNCC1c1ccccc1.
What is the InChIKey of tert-butyl N-methyl-N-(4-phenylpyrrolidin-3-yl)carbamate?
The InChIKey is ZXAWLTOIYWGQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18(4)14-11-17-10-13(14)12-8-6-5-7-9-12/h5-9,13-14,17H,10-11H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(4-phenylpyrrolidin-3-yl)carbamate?
tert-butyl N-methyl-N-(4-phenylpyrrolidin-3-yl)carbamate has a molecular weight of 276.38 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(4-phenylpyrrolidin-3-yl)carbamate is sourced from PubChem (CID 59312404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).