tert-butyl N-hydroxy-N-(1-phenylprop-2-enyl)carbamate

C14H19NO3 — CID 11334175

IUPACtert-butyl N-hydroxy-N-(1-phenylprop-2-enyl)carbamate
SMILESC=CC(c1ccccc1)N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO3/c1-5-12(11-9-7-6-8-10-11)15(17)13(16)18-14(2,3)4/h5-10,12,17H,1H2,2-4H3
InChIKeyQPPWOBFUIDCEFN-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.54
Rot. Bonds3

About tert-butyl N-hydroxy-N-(1-phenylprop-2-enyl)carbamate

tert-butyl N-hydroxy-N-(1-phenylprop-2-enyl)carbamate (PubChem CID 11334175) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is tert-butyl N-hydroxy-N-(1-phenylprop-2-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-hydroxy-N-(1-phenylprop-2-enyl)carbamate
PubChem CID11334175
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nametert-butyl N-hydroxy-N-(1-phenylprop-2-enyl)carbamate
SMILESC=CC(c1ccccc1)N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO3/c1-5-12(11-9-7-6-8-10-11)15(17)13(16)18-14(2,3)4/h5-10,12,17H,1H2,2-4H3
InChIKeyQPPWOBFUIDCEFN-UHFFFAOYSA-N
XLogP3.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hydroxy-N-(1-phenylprop-2-enyl)carbamate?
The IUPAC name of tert-butyl N-hydroxy-N-(1-phenylprop-2-enyl)carbamate (CID 11334175) is tert-butyl N-hydroxy-N-(1-phenylprop-2-enyl)carbamate.
What is the SMILES notation for tert-butyl N-hydroxy-N-(1-phenylprop-2-enyl)carbamate?
The canonical SMILES for tert-butyl N-hydroxy-N-(1-phenylprop-2-enyl)carbamate is C=CC(c1ccccc1)N(O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-hydroxy-N-(1-phenylprop-2-enyl)carbamate?
The InChIKey is QPPWOBFUIDCEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-5-12(11-9-7-6-8-10-11)15(17)13(16)18-14(2,3)4/h5-10,12,17H,1H2,2-4H3.
What are the key properties of tert-butyl N-hydroxy-N-(1-phenylprop-2-enyl)carbamate?
tert-butyl N-hydroxy-N-(1-phenylprop-2-enyl)carbamate has a molecular weight of 249.31 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hydroxy-N-(1-phenylprop-2-enyl)carbamate is sourced from PubChem (CID 11334175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).