tert-butyl N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)carbamate

C18H26N2O3 — CID 14570571

IUPACtert-butyl N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)23-17(22)19-15(13-14-9-5-4-6-10-14)16(21)20-11-7-8-12-20/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,19,22)
InChIKeyHFLJUSDUGUQELQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.74
Rot. Bonds4

About tert-butyl N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)carbamate

tert-butyl N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)carbamate (PubChem CID 14570571) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is tert-butyl N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)carbamate
PubChem CID14570571
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nametert-butyl N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)23-17(22)19-15(13-14-9-5-4-6-10-14)16(21)20-11-7-8-12-20/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,19,22)
InChIKeyHFLJUSDUGUQELQ-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-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-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)carbamate (CID 14570571) is tert-butyl N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)carbamate is CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N1CCCC1.
What is the InChIKey of tert-butyl N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)carbamate?
The InChIKey is HFLJUSDUGUQELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-18(2,3)23-17(22)19-15(13-14-9-5-4-6-10-14)16(21)20-11-7-8-12-20/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,19,22).
What are the key properties of tert-butyl N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)carbamate?
tert-butyl N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)carbamate has a molecular weight of 318.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)carbamate is sourced from PubChem (CID 14570571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).