tert-butyl N-benzyl-N-prop-1-en-2-ylcarbamate

C15H21NO2 — CID 15514554

IUPACtert-butyl N-benzyl-N-prop-1-en-2-ylcarbamate
SMILESC=C(C)N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO2/c1-12(2)16(14(17)18-15(3,4)5)11-13-9-7-6-8-10-13/h6-10H,1,11H2,2-5H3
InChIKeyGYLZSBPASSUYIS-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.96
Rot. Bonds3

About tert-butyl N-benzyl-N-prop-1-en-2-ylcarbamate

tert-butyl N-benzyl-N-prop-1-en-2-ylcarbamate (PubChem CID 15514554) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-prop-1-en-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-prop-1-en-2-ylcarbamate
PubChem CID15514554
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nametert-butyl N-benzyl-N-prop-1-en-2-ylcarbamate
SMILESC=C(C)N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO2/c1-12(2)16(14(17)18-15(3,4)5)11-13-9-7-6-8-10-13/h6-10H,1,11H2,2-5H3
InChIKeyGYLZSBPASSUYIS-UHFFFAOYSA-N
XLogP3.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-prop-1-en-2-ylcarbamate?
The IUPAC name of tert-butyl N-benzyl-N-prop-1-en-2-ylcarbamate (CID 15514554) is tert-butyl N-benzyl-N-prop-1-en-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-prop-1-en-2-ylcarbamate?
The canonical SMILES for tert-butyl N-benzyl-N-prop-1-en-2-ylcarbamate is C=C(C)N(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-prop-1-en-2-ylcarbamate?
The InChIKey is GYLZSBPASSUYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(2)16(14(17)18-15(3,4)5)11-13-9-7-6-8-10-13/h6-10H,1,11H2,2-5H3.
What are the key properties of tert-butyl N-benzyl-N-prop-1-en-2-ylcarbamate?
tert-butyl N-benzyl-N-prop-1-en-2-ylcarbamate has a molecular weight of 247.34 g/mol, XLogP of 3.96, 3 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-1-en-2-ylcarbamate is sourced from PubChem (CID 15514554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).