tert-butyl N-(1-phenylhex-5-en-3-yl)carbamate

C17H25NO2 — CID 72785415

IUPACtert-butyl N-(1-phenylhex-5-en-3-yl)carbamate
SMILESC=CCC(CCc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO2/c1-5-9-15(18-16(19)20-17(2,3)4)13-12-14-10-7-6-8-11-14/h5-8,10-11,15H,1,9,12-13H2,2-4H3,(H,18,19)
InChIKeyZMXHHSFLGGAZCV-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.09
Rot. Bonds6

About tert-butyl N-(1-phenylhex-5-en-3-yl)carbamate

tert-butyl N-(1-phenylhex-5-en-3-yl)carbamate (PubChem CID 72785415) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is tert-butyl N-(1-phenylhex-5-en-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-phenylhex-5-en-3-yl)carbamate
PubChem CID72785415
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nametert-butyl N-(1-phenylhex-5-en-3-yl)carbamate
SMILESC=CCC(CCc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO2/c1-5-9-15(18-16(19)20-17(2,3)4)13-12-14-10-7-6-8-11-14/h5-8,10-11,15H,1,9,12-13H2,2-4H3,(H,18,19)
InChIKeyZMXHHSFLGGAZCV-UHFFFAOYSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-phenylhex-5-en-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-phenylhex-5-en-3-yl)carbamate (CID 72785415) is tert-butyl N-(1-phenylhex-5-en-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-phenylhex-5-en-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-phenylhex-5-en-3-yl)carbamate is C=CCC(CCc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-phenylhex-5-en-3-yl)carbamate?
The InChIKey is ZMXHHSFLGGAZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-9-15(18-16(19)20-17(2,3)4)13-12-14-10-7-6-8-11-14/h5-8,10-11,15H,1,9,12-13H2,2-4H3,(H,18,19).
What are the key properties of tert-butyl N-(1-phenylhex-5-en-3-yl)carbamate?
tert-butyl N-(1-phenylhex-5-en-3-yl)carbamate has a molecular weight of 275.39 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-phenylhex-5-en-3-yl)carbamate is sourced from PubChem (CID 72785415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).