tert-butyl N-(1-phenylbut-3-enoxy)carbamate

C15H21NO3 — CID 11173083

IUPACtert-butyl N-(1-phenylbut-3-enoxy)carbamate
SMILESC=CCC(ONC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-5-9-13(12-10-7-6-8-11-12)19-16-14(17)18-15(2,3)4/h5-8,10-11,13H,1,9H2,2-4H3,(H,16,17)
InChIKeyTXUPVTOVDCZTGE-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.76
Rot. Bonds5

About tert-butyl N-(1-phenylbut-3-enoxy)carbamate

tert-butyl N-(1-phenylbut-3-enoxy)carbamate (PubChem CID 11173083) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-(1-phenylbut-3-enoxy)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-phenylbut-3-enoxy)carbamate
PubChem CID11173083
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl N-(1-phenylbut-3-enoxy)carbamate
SMILESC=CCC(ONC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-5-9-13(12-10-7-6-8-11-12)19-16-14(17)18-15(2,3)4/h5-8,10-11,13H,1,9H2,2-4H3,(H,16,17)
InChIKeyTXUPVTOVDCZTGE-UHFFFAOYSA-N
XLogP3.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(E)-1-(4-methoxyphenyl)-4-phenylbut-3-enoxy]carbamate
CID 11588746
tert-butyl N-[(1S,3S)-3-hydroxy-1-phenylhex-5-enyl]carbamate
CID 102420533
tert-butyl N-(3-hydroxy-1,1-diphenylhex-5-en-2-yl)carbamate
CID 19420331
tert-butyl N-(4-phenylhept-6-en-2-yl)carbamate
CID 141150308
bis(prop-2-enyl) 2-[(S)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]propanedioate
CID 23659168
1-phenylbut-3-enyl carbamate
CID 126509930
tert-butyl N-[(3R)-3-methoxy-3-phenylpropoxy]carbamate
CID 146430540
methyl 2-(1-phenylbut-3-enoxy)acetate
CID 11775632
[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
tert-butyl (2R)-2-(but-3-enoylamino)-2-phenylacetate
CID 115539441
tert-butyl 2-amino-2-benzhydrylhex-5-enoate
CID 67618075
tert-butyl N-[(1S,2S)-2-hydroxy-1-phenylhex-5-enyl]carbamate
CID 45073699

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-phenylbut-3-enoxy)carbamate?
The IUPAC name of tert-butyl N-(1-phenylbut-3-enoxy)carbamate (CID 11173083) is tert-butyl N-(1-phenylbut-3-enoxy)carbamate.
What is the SMILES notation for tert-butyl N-(1-phenylbut-3-enoxy)carbamate?
The canonical SMILES for tert-butyl N-(1-phenylbut-3-enoxy)carbamate is C=CCC(ONC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-(1-phenylbut-3-enoxy)carbamate?
The InChIKey is TXUPVTOVDCZTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-5-9-13(12-10-7-6-8-11-12)19-16-14(17)18-15(2,3)4/h5-8,10-11,13H,1,9H2,2-4H3,(H,16,17).
What are the key properties of tert-butyl N-(1-phenylbut-3-enoxy)carbamate?
tert-butyl N-(1-phenylbut-3-enoxy)carbamate has a molecular weight of 263.34 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-phenylbut-3-enoxy)carbamate is sourced from PubChem (CID 11173083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).