tert-butyl N-benzyl-N-prop-2-enylcarbamate

C15H21NO2 — CID 10399734

IUPACtert-butyl N-benzyl-N-prop-2-enylcarbamate
SMILESC=CCN(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO2/c1-5-11-16(14(17)18-15(2,3)4)12-13-9-7-6-8-10-13/h5-10H,1,11-12H2,2-4H3
InChIKeyLOWHLOUTWLNDDC-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.61
Rot. Bonds4

About tert-butyl N-benzyl-N-prop-2-enylcarbamate

tert-butyl N-benzyl-N-prop-2-enylcarbamate (PubChem CID 10399734) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-prop-2-enylcarbamate
PubChem CID10399734
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nametert-butyl N-benzyl-N-prop-2-enylcarbamate
SMILESC=CCN(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO2/c1-5-11-16(14(17)18-15(2,3)4)12-13-9-7-6-8-10-13/h5-10H,1,11-12H2,2-4H3
InChIKeyLOWHLOUTWLNDDC-UHFFFAOYSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl N-benzyl-N-prop-2-enylcarbamate 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-benzyl-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-benzyl-N-prop-2-enylcarbamate (CID 10399734) is tert-butyl N-benzyl-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-benzyl-N-prop-2-enylcarbamate is C=CCN(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-prop-2-enylcarbamate?
The InChIKey is LOWHLOUTWLNDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-5-11-16(14(17)18-15(2,3)4)12-13-9-7-6-8-10-13/h5-10H,1,11-12H2,2-4H3.
What are the key properties of tert-butyl N-benzyl-N-prop-2-enylcarbamate?
tert-butyl N-benzyl-N-prop-2-enylcarbamate has a molecular weight of 247.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-prop-2-enylcarbamate is sourced from PubChem (CID 10399734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).