tert-butyl N-benzyl-N-(3-methylbut-1-en-2-yl)carbamate

C17H25NO2 — CID 15514556

IUPACtert-butyl N-benzyl-N-(3-methylbut-1-en-2-yl)carbamate
SMILESC=C(C(C)C)N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO2/c1-13(2)14(3)18(16(19)20-17(4,5)6)12-15-10-8-7-9-11-15/h7-11,13H,3,12H2,1-2,4-6H3
InChIKeyUXGGGAVKSFFQTA-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.59
Rot. Bonds4

About tert-butyl N-benzyl-N-(3-methylbut-1-en-2-yl)carbamate

tert-butyl N-benzyl-N-(3-methylbut-1-en-2-yl)carbamate (PubChem CID 15514556) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-(3-methylbut-1-en-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-(3-methylbut-1-en-2-yl)carbamate
PubChem CID15514556
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nametert-butyl N-benzyl-N-(3-methylbut-1-en-2-yl)carbamate
SMILESC=C(C(C)C)N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO2/c1-13(2)14(3)18(16(19)20-17(4,5)6)12-15-10-8-7-9-11-15/h7-11,13H,3,12H2,1-2,4-6H3
InChIKeyUXGGGAVKSFFQTA-UHFFFAOYSA-N
XLogP4.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.59
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-(3-methylbut-1-en-2-yl)carbamate?
The IUPAC name of tert-butyl N-benzyl-N-(3-methylbut-1-en-2-yl)carbamate (CID 15514556) is tert-butyl N-benzyl-N-(3-methylbut-1-en-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-(3-methylbut-1-en-2-yl)carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-(3-methylbut-1-en-2-yl)carbamate is C=C(C(C)C)N(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-(3-methylbut-1-en-2-yl)carbamate?
The InChIKey is UXGGGAVKSFFQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(2)14(3)18(16(19)20-17(4,5)6)12-15-10-8-7-9-11-15/h7-11,13H,3,12H2,1-2,4-6H3.
What are the key properties of tert-butyl N-benzyl-N-(3-methylbut-1-en-2-yl)carbamate?
tert-butyl N-benzyl-N-(3-methylbut-1-en-2-yl)carbamate has a molecular weight of 275.39 g/mol, XLogP of 4.59, 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-(3-methylbut-1-en-2-yl)carbamate is sourced from PubChem (CID 15514556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).